 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_B3LYPDBJ_def2SVPD.in
 Output=22_phenylethanamine_conformer02_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-13628.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13639.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0346151683 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.7104317367 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.02D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.017031657093    
 DIIS: error= 3.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.017031657093     IErMin= 1 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.15D-03 BMatP= 6.15D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.25D-02 MaxDP=7.12D-01              OVMax= 1.70D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.44D-02    CP:  1.52D+00
 E= -366.022845344380     Delta-E=       -0.005813687287 Rises=F Damp=F
 DIIS: error= 5.88D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.022845344380     IErMin= 2 ErrMin= 5.88D-04
 ErrMax= 5.88D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-05 BMatP= 6.15D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.88D-03
 Coeff-Com: -0.167D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.166D-02 0.100D+01
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=3.67D-02 DE=-5.81D-03 OVMax= 4.34D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.76D-04    CP:  1.55D+00  1.04D+00
 E= -366.022804506576     Delta-E=        0.000040837804 Rises=F Damp=F
 DIIS: error= 7.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -366.022845344380     IErMin= 2 ErrMin= 5.88D-04
 ErrMax= 7.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-04 BMatP= 8.65D-05
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.135D-01 0.580D+00 0.433D+00
 Coeff-En:   0.000D+00 0.584D+00 0.416D+00
 Coeff:     -0.365D-02 0.583D+00 0.421D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.92D-04 MaxDP=1.51D-02 DE= 4.08D-05 OVMax= 2.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.45D-04    CP:  1.54D+00  1.04D+00  6.50D-01
 E= -366.022946233793     Delta-E=       -0.000141727217 Rises=F Damp=F
 DIIS: error= 5.13D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.022946233793     IErMin= 4 ErrMin= 5.13D-05
 ErrMax= 5.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-06 BMatP= 8.65D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.575D-02 0.172D+00 0.149D+00 0.685D+00
 Coeff:     -0.575D-02 0.172D+00 0.149D+00 0.685D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.53D-05 MaxDP=6.73D-04 DE=-1.42D-04 OVMax= 8.26D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.46D-05    CP:  1.54D+00  1.04D+00  6.56D-01  9.70D-01
 E= -366.022946991866     Delta-E=       -0.000000758072 Rises=F Damp=F
 DIIS: error= 4.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.022946991866     IErMin= 5 ErrMin= 4.89D-05
 ErrMax= 4.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-06 BMatP= 1.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-02 0.152D-01 0.212D-01 0.442D+00 0.523D+00
 Coeff:     -0.154D-02 0.152D-01 0.212D-01 0.442D+00 0.523D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.07D-05 MaxDP=5.87D-04 DE=-7.58D-07 OVMax= 4.77D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.47D-06    CP:  1.54D+00  1.04D+00  6.51D-01  9.96D-01  6.20D-01
 E= -366.022948238491     Delta-E=       -0.000001246626 Rises=F Damp=F
 DIIS: error= 9.90D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.022948238491     IErMin= 6 ErrMin= 9.90D-06
 ErrMax= 9.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-08 BMatP= 1.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-03 0.168D-02 0.588D-02 0.229D+00 0.310D+00 0.454D+00
 Coeff:     -0.646D-03 0.168D-02 0.588D-02 0.229D+00 0.310D+00 0.454D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.78D-06 MaxDP=2.37D-04 DE=-1.25D-06 OVMax= 9.89D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.16D-06    CP:  1.54D+00  1.04D+00  6.52D-01  1.00D+00  6.69D-01
                    CP:  9.35D-01
 E= -366.022948308099     Delta-E=       -0.000000069608 Rises=F Damp=F
 DIIS: error= 1.62D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.022948308099     IErMin= 7 ErrMin= 1.62D-06
 ErrMax= 1.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-09 BMatP= 6.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.374D-05-0.181D-02-0.120D-02 0.150D-01 0.330D-01 0.159D+00
 Coeff-Com:  0.796D+00
 Coeff:     -0.374D-05-0.181D-02-0.120D-02 0.150D-01 0.330D-01 0.159D+00
 Coeff:      0.796D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=4.23D-05 DE=-6.96D-08 OVMax= 1.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.64D-07    CP:  1.54D+00  1.04D+00  6.52D-01  1.01D+00  6.72D-01
                    CP:  9.47D-01  9.12D-01
 E= -366.022948309895     Delta-E=       -0.000000001796 Rises=F Damp=F
 DIIS: error= 4.12D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.022948309895     IErMin= 8 ErrMin= 4.12D-07
 ErrMax= 4.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 1.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-04-0.841D-03-0.715D-03-0.147D-02 0.387D-02 0.540D-01
 Coeff-Com:  0.349D+00 0.596D+00
 Coeff:      0.199D-04-0.841D-03-0.715D-03-0.147D-02 0.387D-02 0.540D-01
 Coeff:      0.349D+00 0.596D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.02D-07 MaxDP=8.68D-06 DE=-1.80D-09 OVMax= 4.62D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.60D-07    CP:  1.54D+00  1.04D+00  6.52D-01  1.01D+00  6.72D-01
                    CP:  9.48D-01  9.27D-01  8.27D-01
 E= -366.022948310002     Delta-E=       -0.000000000107 Rises=F Damp=F
 DIIS: error= 1.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.022948310002     IErMin= 9 ErrMin= 1.72D-07
 ErrMax= 1.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-11 BMatP= 1.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-04-0.312D-03-0.294D-03-0.234D-02-0.977D-03 0.157D-01
 Coeff-Com:  0.126D+00 0.347D+00 0.516D+00
 Coeff:      0.120D-04-0.312D-03-0.294D-03-0.234D-02-0.977D-03 0.157D-01
 Coeff:      0.126D+00 0.347D+00 0.516D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.12D-08 MaxDP=3.56D-06 DE=-1.07D-10 OVMax= 2.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.15D-08    CP:  1.54D+00  1.04D+00  6.52D-01  1.01D+00  6.73D-01
                    CP:  9.50D-01  9.28D-01  8.30D-01  8.67D-01
 E= -366.022948310001     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 6.18D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -366.022948310002     IErMin=10 ErrMin= 6.18D-08
 ErrMax= 6.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-12 BMatP= 2.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.306D-05-0.416D-04-0.474D-04-0.869D-03-0.867D-03 0.911D-03
 Coeff-Com:  0.179D-01 0.966D-01 0.274D+00 0.612D+00
 Coeff:      0.306D-05-0.416D-04-0.474D-04-0.869D-03-0.867D-03 0.911D-03
 Coeff:      0.179D-01 0.966D-01 0.274D+00 0.612D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.59D-08 MaxDP=1.58D-06 DE= 3.41D-13 OVMax= 7.67D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.75D-08    CP:  1.54D+00  1.04D+00  6.52D-01  1.01D+00  6.73D-01
                    CP:  9.50D-01  9.30D-01  8.40D-01  9.05D-01  7.86D-01
 E= -366.022948310000     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.97D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -366.022948310002     IErMin=11 ErrMin= 1.97D-08
 ErrMax= 1.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-13 BMatP= 2.12D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.520D-06 0.616D-05 0.199D-05-0.247D-03-0.374D-03-0.982D-03
 Coeff-Com: -0.184D-02 0.218D-01 0.106D+00 0.345D+00 0.530D+00
 Coeff:      0.520D-06 0.616D-05 0.199D-05-0.247D-03-0.374D-03-0.982D-03
 Coeff:     -0.184D-02 0.218D-01 0.106D+00 0.345D+00 0.530D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.08D-09 MaxDP=2.73D-07 DE= 1.25D-12 OVMax= 1.91D-07

 SCF Done:  E(RB3LYP) =  -366.022948310     A.U. after   11 cycles
            NFock= 11  Conv=0.81D-08     -V/T= 2.0117
 KE= 3.617789064137D+02 PE=-1.698101852611D+03 EE= 5.445895661506D+02
 Leave Link  502 at Thu Aug 12 20:39:56 2021, MaxMem=  5368709120 cpu:             624.3 elap:              78.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.81650278D+02

 Leave Link  801 at Thu Aug 12 20:39:56 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.32D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 4.06D-01 1.15D-01.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 5.15D-02 5.38D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.87D-03 1.53D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 5.17D-04 9.31D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.58D-05 1.08D-03.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 3.41D-07 1.25D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 3.48D-09 1.07D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 2.60D-11 8.00D-07.
      7 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 2.65D-13 9.92D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.135206D+03
      2  0.344030D+00  0.107338D+03
      3  0.128105D+01  0.587028D+01  0.772241D+02
 Isotropic polarizability for W=    0.085645      106.59 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.661534D+02  0.538685D+01  0.328215D+01
      2  -0.152329D+02 -0.797051D+01 -0.723518D+01
      3  -0.509205D+02  0.258366D+01  0.395303D+01
      4  -0.668617D+01  0.634581D+02  0.368909D+02
      5   0.196678D+02  0.381346D+02 -0.388874D+02
      6   0.162800D+02  0.470552D+01 -0.380058D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.196397D+01  0.223689D+01  0.685607D+00
      2   0.437349D+01  0.150004D+02 -0.146019D+02
      3  -0.359941D+01 -0.323879D+02 -0.137523D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.124370D+01  0.119407D+02  0.638425D+01
      2  -0.163857D+02  0.206109D+02  0.120330D+02
      3  -0.120730D+02 -0.786911D+02 -0.218546D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.934988D+00 -0.220822D+01  0.173540D-01
      2  -0.220822D+01 -0.270542D+01  0.341518D+01
      3   0.173540D-01  0.341518D+01  0.105459D+01
 OR G Eigenvalues:    -5.3209     0.9852     3.6198  Iso=     0.2386
 Eigenvectors:
   (1)   0.298135   0.841069  -0.451351
   (2)   0.847014  -0.015095   0.531356
   (3)  -0.440094   0.540717   0.716898
 w=    0.085645 a.u., Optical Rotation Beta=      0.2386 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       93.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 1.16D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.26D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 5.04D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 2.94D-02 3.89D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 9.22D-04 5.53D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 8.42D-06 5.22D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 6.82D-08 3.30D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.06D-10 2.44D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 9.57D-13 8.92D-08.
      2 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 1.41D-15 5.32D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 4.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.02D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135206D+03  0.344030D+00  0.128105D+01
      2   0.344030D+00  0.107338D+03  0.587028D+01
      3   0.128105D+01  0.587028D+01  0.772241D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.196397D+01  0.223689D+01  0.685607D+00
      2   0.437349D+01  0.150004D+02 -0.146019D+02
      3  -0.359941D+01 -0.323879D+02 -0.137523D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661534D+02  0.538685D+01  0.328215D+01
      2  -0.152329D+02 -0.797051D+01 -0.723518D+01
      3  -0.509205D+02  0.258366D+01  0.395303D+01
      4  -0.668617D+01  0.634581D+02  0.368909D+02
      5   0.196678D+02  0.381346D+02 -0.388874D+02
      6   0.162800D+02  0.470552D+01 -0.380058D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443730D+01 -0.816924D+00 -0.165093D+00  0.506992D+01  0.158126D+00
      2  -0.816924D+00  0.212958D+01 -0.245043D+00  0.158126D+00  0.950091D+00
      3  -0.165093D+00 -0.245043D+00  0.715968D+00 -0.443263D+00 -0.115849D+01
                 6             7             8             9            10 
      1  -0.443263D+00  0.678887D+00 -0.816184D+00  0.193007D+01  0.417294D+01
      2  -0.115849D+01 -0.816184D+00 -0.145143D+01  0.347148D+01 -0.403140D+00
      3   0.129291D+01  0.193007D+01  0.347148D+01  0.268865D+01  0.120094D+00
                11            12            13            14            15 
      1  -0.403140D+00  0.120094D+00  0.873224D+01  0.183549D+00  0.130620D+00
      2  -0.321986D+01 -0.694411D+00  0.183549D+00  0.170606D+01 -0.822083D+00
      3  -0.694411D+00 -0.154914D+01  0.130620D+00 -0.822083D+00  0.153860D+01
                16            17            18            19            20 
      1   0.300259D+01 -0.288685D-01 -0.182954D+01 -0.189431D+02 -0.247713D+01
      2  -0.288685D-01 -0.168986D+01  0.297950D+01 -0.247713D+01 -0.245061D+01
      3  -0.182954D+01  0.297950D+01  0.134558D+01  0.630579D+00  0.198888D+00
                21            22            23            24            25 
      1   0.630579D+00 -0.298811D+01  0.100983D+01  0.161535D+01 -0.657353D+00
      2   0.198888D+00  0.100983D+01 -0.502964D+00 -0.407537D+00  0.146060D+01
      3  -0.200867D+01  0.161535D+01 -0.407537D+00 -0.190924D-01 -0.418487D+01
                26            27            28            29            30 
      1   0.146060D+01 -0.418487D+01  0.588576D+01  0.248809D+01  0.544851D+00
      2  -0.584516D+00 -0.507164D+00  0.248809D+01 -0.213296D+01 -0.231896D+00
      3  -0.507164D+00 -0.726402D+00  0.544851D+00 -0.231896D+00 -0.779984D+00
                31            32            33            34            35 
      1  -0.744526D+01 -0.602515D+00  0.369785D+00 -0.921167D+00  0.106487D+01
      2  -0.602515D+00 -0.179595D+01  0.127694D+01  0.106487D+01  0.134844D+01
      3   0.369785D+00  0.127694D+01 -0.141897D+01 -0.851584D+00 -0.329101D+01
                36            37            38            39            40 
      1  -0.851584D+00 -0.304592D+01 -0.608692D+00 -0.277039D+00 -0.562483D+01
      2  -0.329101D+01 -0.608692D+00  0.239006D+01  0.793733D+00 -0.906895D+00
      3  -0.297405D+01 -0.277039D+00  0.793733D+00  0.155691D+01 -0.105905D+01
                41            42            43            44            45 
      1  -0.906895D+00 -0.105905D+01 -0.183049D+01 -0.828274D+00  0.289707D+01
      2  -0.812144D+00  0.125762D+01 -0.828274D+00  0.188088D+01 -0.293433D+01
      3   0.125762D+01 -0.127940D+01  0.289707D+01 -0.293433D+01 -0.142601D+01
                46            47            48            49            50 
      1   0.575517D+01  0.415631D+00 -0.472560D+00  0.961570D+00 -0.409196D+00
      2   0.415631D+00  0.324340D+01  0.241173D+00 -0.409196D+00  0.287486D+00
      3  -0.472560D+00  0.241173D+00  0.224974D+01 -0.142164D+01 -0.539105D+00
                51            52            53            54            55 
      1  -0.142164D+01 -0.300045D-02 -0.142828D+01  0.527035D+01  0.502185D+01
      2  -0.539105D+00 -0.142828D+01  0.172538D-01  0.442058D+00  0.862993D+00
      3   0.151221D-01  0.527035D+01  0.442058D+00  0.795808D+00 -0.130265D+01
                56            57            58            59            60 
      1   0.862993D+00 -0.130265D+01  0.738567D+00  0.237122D+01 -0.255703D+01
      2   0.864439D+00 -0.117984D+01  0.237122D+01  0.557218D+01  0.371609D+01
      3  -0.117984D+01  0.266152D+01 -0.255703D+01  0.371609D+01  0.105724D+01
                61            62            63            64            65 
      1  -0.639840D+01 -0.192237D+01  0.502871D+01  0.786466D+01  0.868533D+00
      2  -0.192237D+01  0.302397D+01  0.284078D+01  0.868533D+00 -0.532606D+00
      3   0.502871D+01  0.284078D+01 -0.214145D+01  0.147532D+01  0.654098D+00
                66            67            68            69            70 
      1   0.147532D+01  0.324510D+01 -0.171555D+01  0.155844D+01  0.156888D+01
      2   0.654098D+00 -0.171555D+01  0.666900D+00 -0.148162D+01  0.341796D+00
      3  -0.192428D+01  0.155844D+01 -0.148162D+01 -0.618830D+00 -0.152135D+01
                71            72            73            74            75 
      1   0.341796D+00 -0.152135D+01  0.968214D+01  0.218434D+01 -0.328914D+00
      2   0.264882D+00 -0.157933D+01  0.218434D+01 -0.202927D+01  0.120152D+01
      3  -0.157933D+01  0.569327D+01 -0.328914D+00  0.120152D+01 -0.290954D+01
                76            77            78            79            80 
      1   0.162711D+01 -0.193466D+01  0.165099D+01  0.630505D+01  0.197067D+01
      2  -0.193466D+01  0.414615D+00 -0.443850D+01  0.197067D+01 -0.282054D+01
      3   0.165099D+01 -0.443850D+01 -0.114907D+01 -0.446056D+01 -0.182963D+01
                81            82            83            84            85 
      1  -0.446056D+01 -0.134487D+02  0.112790D+01 -0.256325D+01  0.432092D-01
      2  -0.182963D+01  0.112790D+01 -0.849647D+00  0.528218D+00 -0.675020D+00
      3   0.155279D+01 -0.256325D+01  0.528218D+00 -0.167100D+01  0.629757D-01
                86            87            88            89            90 
      1  -0.675020D+00  0.629757D-01 -0.316592D+00  0.157556D+00 -0.109786D+01
      2   0.588665D+00  0.839047D-01  0.157556D+00  0.373674D+00  0.231852D+00
      3   0.839047D-01 -0.514153D-01 -0.109786D+01  0.231852D+00 -0.677785D+00
                91            92            93            94            95 
      1  -0.428825D-01 -0.141505D+01 -0.484181D+00 -0.279795D+01 -0.141913D+01
      2  -0.141505D+01 -0.118296D+01 -0.274082D+00 -0.141913D+01 -0.709242D+01
      3  -0.484181D+00 -0.274082D+00 -0.947632D+00 -0.416093D+00 -0.215980D+01
                96            97            98            99           100 
      1  -0.416093D+00 -0.525951D+00 -0.359325D+00 -0.124448D+01 -0.444672D+00
      2  -0.215980D+01 -0.359325D+00 -0.298849D+01 -0.218821D+01  0.535209D+00
      3  -0.216300D+01 -0.124448D+01 -0.218821D+01 -0.191475D+01  0.410973D+00
               101           102           103           104           105 
      1   0.535209D+00  0.410973D+00  0.164394D+01 -0.500479D-01 -0.788226D+00
      2   0.372337D+00  0.269438D-02 -0.500479D-01  0.316350D+01  0.231385D+01
      3   0.269438D-02  0.833816D+00 -0.788226D+00  0.231385D+01  0.342830D+01
               106           107           108           109           110 
      1   0.624893D+00 -0.271823D+00 -0.965546D-01  0.133091D+00 -0.106958D+01
      2  -0.271823D+00  0.191262D+01  0.166038D+01 -0.106958D+01  0.141417D+01
      3  -0.965546D-01  0.166038D+01  0.362114D+01  0.585433D+00 -0.995373D+00
               111           112           113           114           115 
      1   0.585433D+00 -0.150015D+01  0.523378D+00 -0.220306D+00  0.190362D+00
      2  -0.995373D+00  0.523378D+00 -0.452044D+01  0.283948D+01 -0.372821D+00
      3   0.166227D+01 -0.220306D+00  0.283948D+01 -0.254494D+01  0.508378D+00
               116           117           118           119           120 
      1  -0.372821D+00  0.508378D+00 -0.143687D+02 -0.224484D+01  0.200793D+01
      2   0.192365D+01 -0.171102D+01 -0.224484D+01 -0.123962D+01  0.384661D+00
      3  -0.171102D+01  0.258434D+01  0.200793D+01  0.384661D+00 -0.159642D+01
               121           122           123           124           125 
      1  -0.217286D+01 -0.162232D+01  0.211532D+00 -0.106735D+01 -0.263465D+00
      2  -0.162232D+01 -0.878949D+00  0.657591D+00 -0.263465D+00  0.762154D-01
      3   0.211532D+00  0.657591D+00 -0.222997D+00 -0.765917D+00 -0.321229D-01
               126           127           128           129           130 
      1  -0.765917D+00 -0.166229D+01 -0.166702D+01 -0.539532D+00 -0.154269D+01
      2  -0.321229D-01 -0.166702D+01 -0.212551D+01 -0.626706D+00 -0.197187D+01
      3  -0.350193D-01 -0.539532D+00 -0.626706D+00 -0.390922D+00 -0.555741D+00
               131           132           133           134           135 
      1  -0.197187D+01 -0.555741D+00 -0.644416D+00 -0.696376D+00 -0.121929D+00
      2  -0.802787D+01 -0.210629D+01 -0.696376D+00 -0.222897D+01 -0.712625D+00
      3  -0.210629D+01 -0.136235D+01 -0.121929D+00 -0.712625D+00 -0.454933D+00
               136           137           138           139           140 
      1   0.500630D+01 -0.391533D+01 -0.749941D+00 -0.378643D+01  0.449683D+01
      2  -0.391533D+01  0.353942D+01  0.575995D+00  0.449683D+01 -0.657432D+01
      3  -0.749941D+00  0.575995D+00  0.628895D+00  0.970543D+00 -0.124222D+01
               141           142           143           144           145 
      1   0.970543D+00 -0.766980D+00  0.851809D+00  0.278954D+00  0.135429D+02
      2  -0.124222D+01  0.851809D+00 -0.145502D+01 -0.392452D+00  0.123229D+01
      3  -0.967055D+00  0.278954D+00 -0.392452D+00 -0.274384D+00  0.102139D+01
               146           147           148           149           150 
      1   0.123229D+01  0.102139D+01  0.115065D+01  0.168437D+01  0.459433D+00
      2   0.887968D+00  0.669141D-01  0.168437D+01  0.460229D+00  0.155638D+00
      3   0.669141D-01  0.955908D+00  0.459433D+00  0.155638D+00  0.147192D+00
               151           152           153           154           155 
      1   0.102312D+01  0.438293D+00  0.220116D+00  0.238127D+01  0.267472D+01
      2   0.438293D+00  0.123325D+00  0.376321D-01  0.267472D+01  0.284658D+01
      3   0.220116D+00  0.376321D-01  0.179600D+00  0.771908D+00  0.738680D+00
               156           157           158           159           160 
      1   0.771908D+00  0.239832D+01  0.384238D+01  0.100077D+01  0.823947D+00
      2   0.738680D+00  0.384238D+01  0.925277D+01  0.220231D+01  0.109651D+01
      3   0.531386D+00  0.100077D+01  0.220231D+01  0.138784D+01  0.351390D+00
               161           162           163           164           165 
      1   0.109651D+01  0.351390D+00 -0.366513D+01  0.216174D+01  0.814708D-01
      2   0.235464D+01  0.700874D+00  0.216174D+01 -0.256168D+01 -0.348937D+00
      3   0.700874D+00  0.448298D+00  0.814708D-01 -0.348937D+00 -0.462818D+00
               166           167           168           169           170 
      1   0.241525D+01 -0.270466D+01 -0.521861D+00  0.212544D+00 -0.535168D+00
      2  -0.270466D+01  0.573296D+01  0.911080D+00 -0.535168D+00  0.117006D+01
      3  -0.521861D+00  0.911080D+00  0.862371D+00 -0.688209D-01  0.282018D+00
               171           172           173           174           175 
      1  -0.688209D-01  0.612554D+00  0.662744D-01 -0.766773D+00 -0.167578D+00
      2   0.282018D+00  0.662744D-01  0.636770D+00 -0.790280D+00 -0.257817D+00
      3   0.277533D+00 -0.766773D+00 -0.790280D+00  0.244398D+01 -0.472430D-01
               176           177           178           179           180 
      1  -0.257817D+00 -0.472430D-01 -0.129857D+01  0.140842D+00 -0.241560D+00
      2   0.140961D+01 -0.105886D+01  0.140842D+00 -0.125078D+01  0.253132D+01
      3  -0.105886D+01  0.206754D+01 -0.241560D+00  0.253132D+01 -0.856222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.232451D-01  0.118194D+01 -0.176269D+01  0.161794D+01 -0.433660D-01
      2  -0.883448D+00  0.277591D+01  0.118474D+01  0.148290D+01 -0.317028D+01
      3   0.283739D+01 -0.128909D+02 -0.248341D+01  0.331518D+01 -0.779252D+00
                 6             7             8             9            10 
      1  -0.223204D+01 -0.504313D+01  0.566683D+00 -0.108445D+01 -0.470680D+00
      2   0.321043D+01 -0.845939D+01  0.832181D+01  0.475074D+01  0.163841D+01
      3   0.189917D+01 -0.605196D+00  0.405601D+01 -0.424917D+01  0.606404D+00
                11            12            13            14            15 
      1   0.209500D-01  0.217317D+01 -0.751032D+00  0.962185D-01 -0.231557D+01
      2   0.435131D+00 -0.107952D+01  0.465795D+01  0.736072D+00  0.958426D+00
      3   0.301449D+00  0.121909D+01  0.184544D+01 -0.727486D+01  0.108343D+01
                16            17            18            19            20 
      1   0.714103D+01  0.352367D+01  0.526995D+00 -0.121514D+01 -0.462291D+00
      2  -0.124128D+02  0.310950D+00  0.440390D+00 -0.411890D+01 -0.132959D+01
      3  -0.112914D+01 -0.685448D+00 -0.639208D+01  0.470214D+00  0.823465D+01
                21            22            23            24            25 
      1   0.284796D+00 -0.107853D+01 -0.371185D+01  0.585778D+00 -0.266601D+00
      2  -0.194320D+01 -0.195704D+01  0.670251D+00 -0.321747D-01 -0.148317D+02
      3   0.905896D+00  0.190419D+02  0.231522D+01 -0.206706D+01  0.883481D-01
                26            27            28            29            30 
      1   0.954000D+01  0.226448D+01  0.229341D+00  0.133103D+01 -0.142211D+01
      2   0.272678D+00  0.117359D+00  0.396776D+01  0.156220D+01 -0.225846D+00
      3  -0.880538D-01  0.515441D+00 -0.570215D+01 -0.322036D+01 -0.227671D+01
                31            32            33            34            35 
      1   0.108035D+01  0.795829D+00 -0.230125D+01 -0.539228D+01  0.131593D+01
      2   0.230717D+01 -0.691581D+00 -0.106099D+01 -0.141443D+02 -0.138242D+01
      3   0.265991D+01  0.661581D+01 -0.128413D-01 -0.317276D+01 -0.163652D+01
                36            37            38            39            40 
      1  -0.521342D+00 -0.658746D+00 -0.899254D+00  0.224599D+01 -0.177987D+01
      2  -0.327510D+01 -0.131268D+01  0.205131D+01  0.278853D+01 -0.140245D+01
      3   0.525328D+01  0.399291D+01 -0.106074D+02 -0.210561D+01  0.723785D+01
                41            42            43            44            45 
      1  -0.477230D+00 -0.165372D+01  0.695568D+01  0.333965D+01  0.147138D+01
      2   0.362628D+01 -0.385551D+01 -0.392036D+01 -0.998287D+01 -0.395715D+01
      3   0.128729D+01 -0.214978D+01  0.199999D+00 -0.343275D+01  0.413754D+01
                46            47            48            49            50 
      1   0.414663D+00 -0.711135D+00 -0.724186D+00 -0.718891D+00 -0.275986D+01
      2   0.495346D+00 -0.138302D+00  0.608291D+01 -0.508238D+01 -0.107116D+00
      3  -0.257608D+01 -0.652928D+01 -0.956003D-02  0.119627D+02 -0.163742D+01
                51            52            53            54            55 
      1   0.687129D+00 -0.205261D+01  0.114755D+02  0.295903D+01 -0.910854D+00
      2   0.660117D+00  0.747496D+01  0.240247D+01  0.189059D+01  0.367018D+01
      3   0.103042D+01  0.414685D+01  0.466867D+00 -0.763970D+00 -0.776878D+00
                56            57            58            59            60 
      1  -0.464479D+00 -0.106425D+01  0.332594D+01  0.366983D+01  0.113866D+01
      2   0.156365D+01 -0.264182D+01  0.238866D+01 -0.785530D+01 -0.231912D+01
      3  -0.145522D+01  0.721940D+00  0.858628D+01  0.721784D+01  0.817657D+01
                61            62            63            64            65 
      1   0.293184D+01  0.455692D+01 -0.162474D+01 -0.224487D+01  0.205555D+01
      2  -0.166280D+02 -0.701999D+01  0.379013D+01  0.263697D+01 -0.177932D+01
      3   0.661454D+00  0.116333D+02  0.408003D+01  0.171402D+02 -0.695265D+01
                66            67            68            69            70 
      1   0.274870D+01 -0.543977D+00 -0.278797D+01 -0.254882D+01 -0.108351D+01
      2   0.946838D+01  0.338797D+00  0.189209D+01  0.217009D+01  0.732359D+00
      3   0.523231D+01  0.334281D+01  0.321152D+01 -0.307272D+01  0.220192D+01
                71            72            73            74            75 
      1   0.644477D+01 -0.826188D+01  0.368158D+01 -0.326136D+01 -0.161982D+00
      2   0.542408D+01 -0.149526D+02 -0.133694D+02 -0.589207D+01  0.110320D+02
      3  -0.107916D+00 -0.590871D+01  0.195285D+00 -0.100145D+02  0.209421D+01
                76            77            78            79            80 
      1  -0.551645D+00 -0.118037D+01 -0.116305D+02 -0.141965D+01 -0.580589D+01
      2  -0.572592D+01  0.141695D+02  0.165952D+01  0.810296D+01  0.351768D+01
      3  -0.286070D+01  0.276527D+01 -0.150010D+02  0.766072D+00 -0.128504D+02
                81            82            83            84            85 
      1  -0.721050D+00  0.207964D+01  0.916999D+00  0.114014D+01  0.151138D-03
      2   0.726087D+00 -0.486879D+01 -0.308801D+00  0.491033D+01 -0.803709D+00
      3  -0.174445D+01 -0.118870D+02 -0.433915D+01 -0.160225D+01 -0.163277D+01
                86            87            88            89            90 
      1  -0.270595D+00 -0.480578D+00  0.232614D+00  0.154879D+00  0.189994D+00
      2  -0.689022D+00  0.884781D+00  0.105601D+01 -0.611936D-01  0.992772D+00
      3   0.757302D+00  0.746957D+00 -0.399721D+00  0.537354D+00 -0.400960D+00
                91            92            93            94            95 
      1  -0.768956D+00 -0.311231D+00 -0.815303D+00 -0.114061D+01 -0.503810D-01
      2   0.118337D+01  0.247893D+00  0.254287D+01 -0.590391D+00  0.421166D+01
      3  -0.346099D+01 -0.215533D+01 -0.356235D+00  0.356007D+01 -0.133750D+02
                96            97            98            99           100 
      1  -0.453200D+01 -0.954257D+00  0.387303D-01 -0.227033D+01  0.163649D+01
      2   0.405407D+01  0.354513D+00  0.329016D+01  0.312006D+01 -0.174396D+01
      3  -0.408647D+01  0.125082D+01 -0.606142D+01 -0.326335D+01  0.241044D+01
               101           102           103           104           105 
      1   0.138398D+01  0.193174D+00  0.493751D+00  0.773272D+01  0.361012D+01
      2  -0.991490D+00 -0.180320D+01 -0.158805D+01 -0.674335D+01 -0.793008D+01
      3   0.997140D+00  0.894390D-02  0.184423D+01  0.902147D+01  0.680869D+01
               106           107           108           109           110 
      1  -0.380808D+00  0.586092D+01  0.452435D+01 -0.170888D+01  0.220461D+01
      2  -0.230771D+01 -0.425232D+01 -0.844594D+01 -0.326468D+01  0.342457D+01
      3  -0.468274D+00  0.547115D+01  0.478715D+01 -0.430181D+01  0.420290D+01
               111           112           113           114           115 
      1   0.573485D+00  0.125751D+01 -0.517718D+01  0.321878D+00  0.357705D+00
      2  -0.343813D+01  0.373210D+01 -0.820698D+01  0.627676D+01 -0.347709D+01
      3  -0.238685D+01  0.538194D+01 -0.114526D+02  0.731348D+01 -0.135103D+01
               116           117           118           119           120 
      1   0.335097D+01 -0.120050D+00 -0.127457D+01 -0.200024D+01 -0.137054D+01
      2   0.473052D+01 -0.649855D+01  0.105876D+02  0.126555D+01  0.623398D+01
      3   0.519075D+01 -0.498987D+01  0.350896D+01 -0.548298D+01  0.107701D+00
               121           122           123           124           125 
      1  -0.178710D+01 -0.507780D+00 -0.135250D+00 -0.905776D+00  0.105357D+01
      2   0.190326D+01 -0.354028D+00  0.930110D+00  0.130226D+01 -0.478670D-01
      3  -0.192783D+01 -0.159224D+01  0.181848D+01 -0.803397D-01  0.136937D+01
               126           127           128           129           130 
      1  -0.283330D+00  0.143125D+00  0.391936D+00 -0.146583D+01  0.120307D+00
      2   0.933335D+00 -0.183751D+01 -0.114137D+01 -0.283242D-01 -0.174454D+01
      3   0.806853D+00  0.651595D+01  0.339794D+01  0.136134D+01  0.679737D+01
               131           132           133           134           135 
      1   0.858563D+00 -0.385101D+01  0.666940D+00  0.214368D+01 -0.648117D+00
      2  -0.237266D+01 -0.101321D+00 -0.191262D+01 -0.616238D+00  0.638774D-01
      3   0.843506D+01  0.265906D+01  0.250772D+01  0.244336D+01  0.422401D+00
               136           137           138           139           140 
      1   0.183923D+00 -0.636560D+00  0.217309D+01  0.267465D+00  0.325779D+00
      2  -0.166191D-01  0.592075D-01  0.280059D+01  0.946838D+00 -0.174554D+01
      3   0.161140D+01 -0.476387D+01 -0.322238D+00 -0.365924D+01  0.110038D+02
               141           142           143           144           145 
      1  -0.320928D+01 -0.893827D+00  0.136961D+01 -0.413774D+00 -0.157665D+00
      2  -0.347712D+01 -0.564361D+00  0.305370D+00 -0.534410D+00  0.124943D+01
      3   0.166219D+01 -0.104700D+01  0.259225D+01  0.471947D+00 -0.521246D+00
               146           147           148           149           150 
      1   0.378974D+00 -0.574534D+00  0.420063D-01  0.252206D-01 -0.385855D+00
      2  -0.607153D-01  0.613411D+01  0.166453D+01  0.367561D+00  0.863250D+00
      3  -0.527296D+01  0.130730D+00 -0.401426D+01 -0.120416D+01 -0.389358D+00
               151           152           153           154           155 
      1   0.333577D+00  0.454206D+00 -0.626022D-01 -0.239830D+00  0.110589D+00
      2  -0.212737D+01 -0.107037D+00  0.441140D+00  0.342869D+00  0.587306D+00
      3  -0.133654D+01 -0.754896D+00 -0.458569D-01 -0.801250D+00 -0.248327D+01
               156           157           158           159           160 
      1  -0.166023D+01 -0.247436D+00  0.523606D+00 -0.423508D+01  0.533219D+00
      2   0.165363D+01  0.619345D+00  0.315159D+01  0.346692D+01 -0.356983D+00
      3  -0.415982D+00 -0.150321D+01 -0.133429D+02 -0.287814D+01 -0.390796D+00
               161           162           163           164           165 
      1   0.174873D+01 -0.752402D+00  0.994589D+00 -0.801766D+00  0.231374D+01
      2   0.325528D+00  0.933922D+00  0.237773D+01 -0.873475D+00  0.637057D+00
      3  -0.357984D+01 -0.846576D+00 -0.105187D+02  0.370073D+01 -0.316687D+00
               166           167           168           169           170 
      1  -0.983383D-01  0.179079D-01 -0.300998D+01 -0.211057D+00  0.183844D+01
      2  -0.102911D+01  0.131728D+01 -0.966169D+00 -0.155274D+01  0.456125D+00
      3   0.695680D+01 -0.477478D+01 -0.122750D+01 -0.274568D+00 -0.148250D+01
               171           172           173           174           175 
      1  -0.277097D+00  0.263596D+00 -0.428246D+00 -0.282463D+01 -0.148222D+00
      2  -0.503037D+00  0.390657D+01  0.147751D+01 -0.569712D+01 -0.117959D+00
      3  -0.142982D-01  0.108256D+01  0.166283D+01 -0.244001D+01  0.670242D+00
               176           177           178           179           180 
      1  -0.141852D-01 -0.243456D+01 -0.374738D+00  0.699254D+00  0.803832D+01
      2   0.179360D+01 -0.539199D+01 -0.393240D+01 -0.605968D+01  0.193280D+02
      3   0.297497D+01 -0.167510D+01 -0.156782D+01 -0.308066D+01  0.814465D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.784207D+01 -0.191670D+02 -0.295113D+01  0.220104D+02  0.119190D+02
      2  -0.837126D+01  0.120427D+02  0.545739D+00 -0.183745D+02 -0.148121D+02
      3   0.529186D+00  0.712435D+01  0.240540D+01 -0.363591D+01  0.289306D+01
      4  -0.137784D+02 -0.619819D+01 -0.389015D+01  0.909292D+01 -0.458674D+01
      5  -0.625970D+01 -0.205296D+01 -0.120561D+01  0.157487D+00 -0.724574D+01
      6  -0.534234D+01 -0.139687D+01  0.315470D+01 -0.550529D+01 -0.114892D+02
                 6             7             8             9            10 
      1   0.456280D+01  0.548615D+01  0.130136D+01 -0.539451D+01  0.658153D+00
      2  -0.670415D+01 -0.871913D+01 -0.966995D+01 -0.512169D+01 -0.111575D+01
      3   0.214135D+01  0.323298D+01  0.836860D+01  0.105162D+02  0.457600D+00
      4  -0.680927D+01 -0.332379D+01 -0.113114D+02  0.130537D+02  0.954108D+01
      5   0.668198D+01  0.118657D+02  0.135052D+02  0.978349D+01  0.359055D+01
      6   0.280161D+01  0.584941D+01  0.125056D+02  0.345022D+01  0.242940D+01
                11            12            13            14            15 
      1   0.148594D+02  0.393236D+01 -0.510038D+01  0.118746D+01  0.433980D+01
      2  -0.113390D+02 -0.678286D-01  0.132661D+02 -0.349370D+01 -0.352135D+01
      3  -0.352040D+01 -0.386453D+01 -0.816570D+01  0.230624D+01 -0.818458D+00
      4  -0.111381D+02 -0.909766D+00  0.223650D+01  0.131984D+02  0.272483D+01
      5  -0.188690D+01 -0.168222D+01  0.397927D+01  0.288014D+01 -0.634822D+00
      6  -0.137490D+01 -0.437448D+01  0.896971D+01 -0.538773D+01  0.431424D+01
                16            17            18            19            20 
      1  -0.218898D+01  0.555473D+01 -0.134030D+02 -0.197729D+02 -0.261455D+01
      2   0.808746D+01 -0.827979D+01  0.207065D+01  0.474093D+01  0.218604D+01
      3  -0.589848D+01  0.272506D+01  0.113323D+02  0.150320D+02  0.428508D+00
      4   0.269057D+01  0.218155D+01  0.356581D+01  0.590734D+01  0.294299D+01
      5   0.318044D+01  0.219432D+01 -0.300884D+00 -0.975128D+01 -0.148202D+01
      6  -0.315473D+01  0.109929D+02 -0.134361D+00 -0.477458D+01  0.389270D+00
                21            22            23            24            25 
      1  -0.302252D+01  0.729038D+00 -0.847881D+01 -0.173909D+01 -0.616275D+01
      2   0.540767D+00 -0.314661D+01  0.130394D+02  0.732620D+01 -0.747528D+00
      3   0.248175D+01  0.241757D+01 -0.456064D+01 -0.558712D+01  0.691028D+01
      4  -0.836031D+00 -0.817384D+01 -0.134542D+01  0.149256D+01 -0.599930D+01
      5   0.128216D+01 -0.621960D+01  0.136080D+01 -0.272758D+00  0.582558D+01
      6   0.123292D+01 -0.294644D+01  0.598665D+01 -0.601952D-01  0.432382D+00
                26            27            28            29            30 
      1  -0.232871D+01 -0.839796D+01  0.114152D+02 -0.848871D+01 -0.174381D+00
      2   0.479431D+01 -0.376486D+01 -0.725553D+01  0.655817D+01 -0.873291D+00
      3  -0.246560D+01  0.121628D+02 -0.415966D+01  0.193054D+01  0.104767D+01
      4   0.154028D+01  0.123963D+01 -0.687314D+01 -0.177429D+02 -0.370294D+01
      5   0.929491D+00 -0.102901D+01  0.206743D+01 -0.238769D+01 -0.378955D+01
      6   0.616151D+01 -0.348548D+01 -0.104817D+01 -0.142674D+01  0.323420D+01
                31            32            33            34            35 
      1   0.170184D+01  0.894675D+01  0.611349D+01  0.310997D+01  0.446493D+01
      2  -0.101003D+02 -0.114266D+02 -0.792060D+01 -0.557441D+01 -0.116834D+02
      3   0.839850D+01  0.247990D+01  0.180711D+01  0.246443D+01  0.721847D+01
      4   0.111259D+02 -0.130648D+02 -0.259859D+01 -0.896284D+00 -0.299768D+01
      5  -0.115899D+01 -0.295633D+01 -0.821491D-01  0.366262D+01 -0.542693D+01
      6  -0.675747D+01 -0.112658D+02  0.221598D+01  0.131341D+01  0.123084D+02
                36            37            38            39            40 
      1  -0.146279D+02 -0.757846D+00  0.217674D+02  0.580648D+01 -0.270190D+02
      2   0.283398D-02 -0.355797D+01 -0.134325D+02 -0.628242D+00  0.240065D+02
      3   0.146250D+02  0.431582D+01 -0.833493D+01 -0.517823D+01  0.301248D+01
      4  -0.694736D+01  0.161583D+02  0.161917D+01  0.173882D+01  0.298720D+00
      5  -0.454403D+01  0.314345D+00 -0.153806D+00  0.529471D+01 -0.674059D+01
      6   0.470073D+01 -0.414804D+00 -0.162243D+01 -0.550328D+01  0.781562D+01
                41            42            43            44            45 
      1   0.357361D+01  0.133880D+00 -0.874622D+01  0.390792D+01  0.218758D+01
      2  -0.692988D+01 -0.944174D+00  0.113753D+02 -0.793547D+01 -0.803879D+01
      3   0.335627D+01  0.810294D+00 -0.262905D+01  0.402755D+01  0.585120D+01
      4   0.106245D+02  0.100722D+02 -0.253432D+01  0.107408D+02 -0.139672D+02
      5   0.857039D+01 -0.735672D+01  0.180359D+02 -0.143790D+02 -0.904648D+01
      6  -0.672269D+01  0.325386D+01 -0.650226D+01  0.108193D+02 -0.102415D+01
                46            47            48            49            50 
      1  -0.143971D+02 -0.399547D+01 -0.535371D+01  0.856553D+01 -0.194321D+02
      2   0.102545D+02  0.322293D+01  0.251678D+01 -0.672978D+01  0.160370D+02
      3   0.414266D+01  0.772547D+00  0.283692D+01 -0.183575D+01  0.339509D+01
      4  -0.311787D+01  0.222727D+02  0.137855D+01 -0.166978D+02 -0.332415D+01
      5  -0.391729D+01  0.115297D+01  0.145343D+02 -0.133417D+02 -0.122201D+01
      6   0.178298D+01  0.685168D+00  0.180261D+01 -0.313417D+01  0.362836D+01
                51            52            53            54            55 
      1  -0.868191D+01 -0.386173D+01 -0.957071D+01  0.141727D+02  0.129614D+02
      2   0.960693D+01 -0.647810D+00  0.691634D+01 -0.158554D+02 -0.305107D+01
      3  -0.925017D+00  0.450954D+01  0.265436D+01  0.168266D+01 -0.991035D+01
      4  -0.386243D+01 -0.142647D+02 -0.165656D+01  0.211662D+01  0.199523D+00
      5   0.624391D+00  0.346801D+02  0.325646D+01  0.480325D+01  0.709196D+01
      6  -0.107987D+01  0.137789D+01  0.497011D+01 -0.396026D+01  0.272130D+01
                56            57            58            59            60 
      1   0.653802D+00 -0.162652D+01  0.109637D+02  0.682489D+01  0.811197D+01
      2   0.237043D+01 -0.152840D+01 -0.674767D+01 -0.131614D+02 -0.163197D+02
      3  -0.302423D+01  0.315492D+01 -0.421602D+01  0.633656D+01  0.820775D+01
      4  -0.906142D+01  0.351138D+01 -0.134690D+02 -0.226936D+02 -0.172862D+02
      5   0.361213D+01 -0.150397D+02  0.171866D+02 -0.149063D+02 -0.218136D+01
      6  -0.339765D+00 -0.801577D+00 -0.500973D+01 -0.131670D+02 -0.702144D+01
                61            62            63            64            65 
      1   0.551059D+01  0.732655D+01 -0.630369D+01 -0.405797D+02  0.157649D+01
      2  -0.114039D+02 -0.554258D+01  0.701402D+01  0.264188D+02 -0.479467D+01
      3   0.589332D+01 -0.178397D+01 -0.710334D+00  0.141609D+02  0.321818D+01
      4   0.132569D+02 -0.160310D+02 -0.133353D+02  0.147178D+01  0.105405D+02
      5  -0.298824D+02 -0.130265D+02  0.970078D+01 -0.185846D+02 -0.116300D+01
      6  -0.839545D+01 -0.949053D+01  0.182898D+01 -0.492464D+00  0.114805D+01
                66            67            68            69            70 
      1  -0.114049D+02 -0.105868D+02 -0.384632D+01 -0.400251D+01 -0.849965D+01
      2   0.144377D+01  0.267669D+01  0.142093D+02 -0.437340D+00  0.246663D+01
      3   0.996113D+01  0.791009D+01 -0.103630D+02  0.443985D+01  0.603303D+01
      4   0.826657D+00  0.168675D+02 -0.909056D+01  0.932183D+01 -0.667559D+00
      5   0.103401D+02 -0.113976D+02  0.793698D+01  0.252794D+00  0.911369D+01
      6  -0.344604D+01  0.534410D+01 -0.356938D+01  0.587234D+01 -0.109681D+01
                71            72            73            74            75 
      1  -0.841867D+00  0.163538D+02 -0.589753D+02 -0.167108D+02  0.105856D+02
      2  -0.720911D+01  0.132331D+01  0.244963D+02  0.101757D+02 -0.181103D+01
      3   0.805098D+01 -0.176771D+02  0.344790D+02  0.653509D+01 -0.877458D+01
      4   0.769112D+00  0.346917D+01 -0.226114D+02  0.720425D+01 -0.318007D+01
      5   0.571569D+01 -0.192850D+02  0.158799D+02 -0.470026D+00  0.125734D+02
      6   0.248633D+01  0.974934D+01  0.470653D+01 -0.696378D+01  0.399529D+01
                76            77            78            79            80 
      1  -0.173763D+02  0.192516D+02 -0.448920D+01  0.207344D-01 -0.615857D+01
      2   0.923813D+01 -0.504975D+01  0.137237D+02  0.978705D+01  0.118923D+02
      3   0.813818D+01 -0.142018D+02 -0.923453D+01 -0.980778D+01 -0.573372D+01
      4   0.732347D+01  0.221110D+01  0.184828D+02 -0.951486D+01  0.130062D+02
      5  -0.389519D+01  0.139600D+02  0.810508D+01  0.257762D+02  0.114571D+02
      6  -0.400073D+01  0.410086D+01 -0.128551D+02  0.921806D+01 -0.815879D+01
                81            82            83            84            85 
      1   0.124427D+02  0.768395D+02 -0.415590D+01  0.106932D+02  0.416465D+01
      2  -0.127083D+02 -0.447905D+02  0.208926D+01 -0.914326D+01 -0.205047D+01
      3   0.265572D+00 -0.320490D+02  0.206664D+01 -0.154998D+01 -0.211418D+01
      4   0.117234D+02 -0.162487D+02  0.738485D+01 -0.435335D+01  0.665957D+01
      5  -0.134316D+02  0.309044D+02 -0.372164D+01  0.139935D+02  0.655326D-01
      6  -0.549425D+01 -0.301405D+01  0.224209D+01 -0.270311D+01  0.196085D+01
                86            87            88            89            90 
      1   0.353262D+01 -0.116479D+01  0.321666D+01 -0.604350D+00  0.461110D+01
      2  -0.667991D+00  0.961808D+00 -0.317467D+01  0.823560D+00 -0.453313D+01
      3  -0.286463D+01  0.202984D+00 -0.419943D-01 -0.219209D+00 -0.779647D-01
      4  -0.220770D+01  0.355456D+00 -0.186610D+01 -0.162695D+00 -0.152698D+01
      5   0.533235D+00  0.190177D+00  0.111596D+02 -0.155247D+01  0.603204D+01
      6  -0.207682D+00  0.131302D+01 -0.156383D+01  0.108752D+01 -0.106208D+01
                91            92            93            94            95 
      1   0.731467D+00  0.257117D+01  0.191913D+01  0.678615D+00 -0.137747D+02
      2   0.197842D+01  0.104938D+00  0.107652D+00  0.220709D+01  0.215225D+02
      3  -0.270989D+01 -0.267611D+01 -0.202678D+01 -0.288570D+01 -0.774781D+01
      4   0.821974D+01  0.112219D+02  0.298482D+01  0.106237D+02  0.315966D+02
      5   0.270657D+01  0.297117D+01  0.717694D+01  0.314311D+01  0.814844D+01
      6   0.428120D+01  0.199317D+01  0.123351D+01  0.292816D+01  0.170275D+02
                96            97            98            99           100 
      1  -0.508044D+01  0.293490D+00 -0.700414D+01 -0.531623D+01  0.406282D+01
      2   0.717267D+01  0.929911D+00  0.573088D+01  0.158504D+01 -0.269865D+01
      3  -0.209223D+01 -0.122340D+01  0.127326D+01  0.373119D+01 -0.136417D+01
      4   0.933260D+01  0.323383D+01  0.130874D+02  0.949106D+01 -0.977667D+00
      5   0.913231D+01  0.803049D+01  0.860395D+01  0.735695D+01 -0.272245D+01
      6   0.103087D+02  0.346561D+01  0.128605D+02  0.958668D+01  0.203876D+01
               101           102           103           104           105 
      1  -0.175293D+01 -0.551391D+01 -0.502909D+01 -0.789523D+01 -0.589297D+01
      2   0.735083D+00  0.410967D+00  0.378839D+01 -0.144787D+00 -0.643407D+01
      3   0.101785D+01  0.510294D+01  0.124069D+01  0.804002D+01  0.123270D+02
      4  -0.109690D+00  0.513703D+00  0.197137D+01 -0.157794D+02 -0.111732D+02
      5   0.182806D+01  0.292389D+00  0.748018D+01 -0.930207D+01 -0.153167D+02
      6   0.151093D+01 -0.947283D-01 -0.326578D+00  0.119123D+02  0.101476D+02
               106           107           108           109           110 
      1  -0.351006D+01 -0.418634D+01 -0.109157D+02 -0.102683D+01  0.969771D+01
      2   0.250179D+01 -0.513872D+01 -0.709636D+01  0.165142D+01 -0.646691D+01
      3   0.100827D+01  0.932506D+01  0.180121D+02 -0.624593D+00 -0.323080D+01
      4   0.118772D+01 -0.937083D+01 -0.834957D+01  0.218572D+01 -0.207334D+01
      5   0.421452D+01 -0.706512D+01 -0.142228D+02 -0.661595D-01 -0.373122D+00
      6  -0.782105D+00  0.912167D+01  0.766265D+01 -0.386209D+01  0.629442D+01
               111           112           113           114           115 
      1  -0.815782D+01  0.934635D+01 -0.199460D+02  0.125791D+02 -0.386662D+01
      2   0.218407D+01 -0.541684D+01  0.170929D+02 -0.593751D+01  0.645788D+00
      3   0.597375D+01 -0.392951D+01  0.285301D+01 -0.664163D+01  0.322084D+01
      4   0.138105D+01  0.245791D+01  0.158714D+02 -0.105411D+02  0.101871D+00
      5  -0.236972D+01 -0.409135D+01 -0.780880D+01  0.777262D+01  0.163220D+01
      6  -0.542541D+01  0.202279D+01 -0.185515D+02  0.148102D+02 -0.247739D+01
               116           117           118           119           120 
      1   0.994895D+01 -0.140382D+02  0.851867D+02  0.109383D+02 -0.632802D+01
      2  -0.352323D+01  0.180072D+01 -0.428890D+02 -0.373904D+01  0.699634D+01
      3  -0.642572D+01  0.122375D+02 -0.422977D+02 -0.719928D+01 -0.668313D+00
      4  -0.703067D+01  0.508382D+01  0.261990D+02  0.139829D+02 -0.349045D+01
      5   0.440394D+01 -0.679415D+01 -0.307101D+02 -0.505338D+01  0.149914D+02
      6   0.127625D+02 -0.114366D+02 -0.547437D+01 -0.344412D+01  0.297674D+01
               121           122           123           124           125 
      1   0.973725D+01  0.608989D+01  0.381189D+00  0.440446D+01  0.974988D+00
      2  -0.261768D+01 -0.191650D+01 -0.611810D+00  0.526822D+00 -0.432129D+00
      3  -0.711957D+01 -0.417340D+01  0.230621D+00 -0.493128D+01 -0.542859D+00
      4   0.156886D+02  0.723720D+01 -0.350911D+01  0.182196D+01 -0.359625D+00
      5  -0.379523D+01 -0.463425D+01  0.180319D+01  0.876888D+01  0.596269D+00
      6  -0.302135D+01 -0.212674D+01  0.342979D+01  0.170156D+01  0.211993D+01
               126           127           128           129           130 
      1   0.515486D+01 -0.541082D+01 -0.857088D+01 -0.290645D+01 -0.776732D+01
      2  -0.357377D+01  0.638746D+01  0.998575D+01  0.213000D+01  0.917770D+01
      3  -0.158109D+01 -0.976633D+00 -0.141488D+01  0.776445D+00 -0.141038D+01
      4   0.137785D+01  0.346372D+01  0.711610D+01  0.154771D+01  0.494855D+01
      5  -0.152382D+01  0.120862D+01  0.134998D+01  0.163428D+01  0.113811D+01
      6  -0.726441D-01  0.257356D+01  0.396370D+01  0.251986D+01  0.326055D+01
               131           132           133           134           135 
      1  -0.321826D+02 -0.909448D+01 -0.225819D+01 -0.883460D+01 -0.381481D+01
      2   0.412003D+02  0.832998D+01  0.259779D+01  0.100166D+02  0.376205D+01
      3  -0.901768D+01  0.764504D+00 -0.339607D+00 -0.118204D+01  0.527580D-01
      4  -0.853947D+00 -0.623425D+00  0.133009D+01 -0.175616D+00  0.142172D+01
      5  -0.628572D+00 -0.229721D+00  0.105605D+01  0.601994D+00  0.633293D+00
      6   0.138848D+02  0.909619D+01  0.117507D+01  0.555415D+01  0.399055D+01
               136           137           138           139           140 
      1   0.217947D+02 -0.138998D+02 -0.290889D+01 -0.850226D+01  0.300773D+01
      2  -0.386043D+01 -0.940357D+00  0.101314D+01 -0.682890D+01  0.169197D+02
      3  -0.179342D+02  0.148401D+02  0.189575D+01  0.153312D+02 -0.199275D+02
      4  -0.336797D+02  0.306246D+02  0.489236D+01  0.338509D+02 -0.442753D+02
      5  -0.713400D+01  0.507216D+01  0.641458D+01  0.731297D+01 -0.854273D+01
      6   0.273144D+01 -0.240119D+01 -0.323318D+01 -0.469942D+01  0.642200D+01
               141           142           143           144           145 
      1   0.823743D+00 -0.111141D+01  0.155744D+00 -0.251719D+00  0.101621D+03
      2   0.110171D+01 -0.121855D+01  0.285193D+01  0.101816D+01 -0.570330D+02
      3  -0.192545D+01  0.232996D+01 -0.300767D+01 -0.766442D+00 -0.445883D+02
      4  -0.810009D+01  0.666953D+01 -0.838528D+01 -0.388267D+01  0.133987D+02
      5  -0.641313D+01  0.307539D+01 -0.338520D+01 -0.210790D+01  0.976717D+01
      6   0.609761D+01 -0.240675D+01  0.350108D+01  0.223035D+01 -0.228774D+01
               146           147           148           149           150 
      1   0.868611D+01  0.652418D+01  0.693889D+01  0.989385D+01  0.193837D+01
      2  -0.426981D+01 -0.436644D+01 -0.294110D+01 -0.466360D+01 -0.156717D+01
      3  -0.441630D+01 -0.215774D+01 -0.399779D+01 -0.523025D+01 -0.371206D+00
      4   0.948009D+01  0.581110D+00  0.160352D+02  0.416801D+01  0.142522D+01
      5   0.532057D+00  0.104669D+02  0.368736D+01  0.153924D+01  0.142586D+01
      6   0.216045D+00  0.526602D+00  0.854456D+00 -0.229578D+00  0.150144D+01
               151           152           153           154           155 
      1   0.764711D+01  0.218488D+01  0.409426D+01  0.541680D+01  0.479598D+01
      2  -0.432811D+01 -0.124373D+01 -0.275299D+01  0.325934D+01  0.494609D+01
      3  -0.331901D+01 -0.941150D+00 -0.134126D+01 -0.867614D+01 -0.974208D+01
      4   0.406815D+01  0.152138D+01  0.973952D+00  0.192934D+02  0.235217D+02
      5   0.456739D+01  0.677982D+00  0.164983D+01  0.494455D+01  0.554851D+01
      6   0.269201D+00  0.721549D+00  0.350879D+00  0.373689D+01  0.419190D+01
               156           157           158           159           160 
      1   0.116036D+01 -0.132263D+01 -0.159850D+02 -0.391417D+01  0.417615D-02
      2   0.329402D+00  0.116144D+02  0.368495D+02  0.600094D+01  0.222650D+01
      3  -0.148976D+01 -0.102918D+02 -0.208645D+02 -0.208677D+01 -0.223067D+01
      4   0.569261D+01  0.244405D+02  0.466011D+02  0.107313D+02  0.664233D+01
      5   0.503743D+01  0.589814D+01  0.103637D+02  0.677556D+01  0.254486D+01
      6   0.310176D+01  0.597378D+01  0.139874D+02  0.945121D+01  0.278113D+01
               161           162           163           164           165 
      1  -0.349650D+01 -0.258491D+01 -0.458450D+01  0.696186D+01  0.130964D+01
      2   0.763448D+01  0.313396D+01  0.590101D+01 -0.978415D+01 -0.131866D+01
      3  -0.413798D+01 -0.549043D+00 -0.131652D+01  0.282229D+01  0.902290D-02
      4   0.121032D+02  0.461806D+01 -0.861745D+01  0.766702D+01  0.996977D+00
      5   0.394751D+01  0.288016D+01 -0.860066D-01  0.110591D+01  0.171252D+01
      6   0.626009D+01  0.404586D+01  0.779818D+00 -0.185958D+01 -0.238200D+01
               166           167           168           169           170 
      1   0.837971D+01 -0.205039D+02 -0.381156D+01  0.174685D+01 -0.372603D+01
      2  -0.108035D+02  0.272600D+02  0.322732D+01 -0.225489D+01  0.442980D+01
      3   0.242383D+01 -0.675616D+01  0.584243D+00  0.508045D+00 -0.703766D+00
      4   0.747534D+01 -0.843257D+01 -0.103447D+01  0.127441D+01 -0.152497D+01
      5   0.107663D+01 -0.126580D+01 -0.119535D+01  0.106910D+01 -0.737219D+00
      6  -0.262527D+01  0.523295D+01  0.510860D+01 -0.103630D+01  0.268957D+01
               171           172           173           174           175 
      1  -0.107842D+01 -0.275028D+01 -0.269346D+01  0.101253D+02 -0.741561D+00
      2   0.181861D+01 -0.602370D+00  0.119927D+00  0.664492D+00  0.241112D+00
      3  -0.740191D+00  0.335265D+01  0.257353D+01 -0.107898D+02  0.500448D+00
      4  -0.203033D+01  0.210109D+00 -0.191667D+01  0.187308D+00  0.245029D+01
      5  -0.132093D+01  0.203707D+01  0.144188D+01 -0.443360D+01 -0.485197D+00
      6   0.165902D+01 -0.107127D+01 -0.180537D+01  0.418561D+01  0.177492D+00
               176           177           178           179           180 
      1  -0.374177D+01  0.497321D+01  0.791138D+01  0.701824D+01 -0.243727D+02
      2   0.125352D+01  0.773645D+00 -0.393003D+01  0.165436D+01 -0.115668D+02
      3   0.248825D+01 -0.574686D+01 -0.398135D+01 -0.867260D+01  0.359396D+02
      4  -0.551002D+01  0.288008D+01 -0.321049D+01  0.405638D+01 -0.809534D+01
      5   0.321965D+01 -0.908126D+01  0.682988D+01 -0.997347D+01  0.320479D+02
      6  -0.359518D+01  0.851835D+01  0.175942D+00  0.806516D+01 -0.167152D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:53:53 2021, MaxMem=  5368709120 cpu:            6681.2 elap:             836.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31474 -10.22039 -10.19071 -10.18757 -10.18642
 Alpha  occ. eigenvalues --  -10.18599 -10.18573 -10.18159 -10.17828  -0.89071
 Alpha  occ. eigenvalues --   -0.84668  -0.75984  -0.73897  -0.71521  -0.62600
 Alpha  occ. eigenvalues --   -0.60330  -0.56820  -0.51662  -0.48852  -0.48588
 Alpha  occ. eigenvalues --   -0.45220  -0.43546  -0.43304  -0.41989  -0.39100
 Alpha  occ. eigenvalues --   -0.37762  -0.37233  -0.36037  -0.34312  -0.33538
 Alpha  occ. eigenvalues --   -0.25790  -0.25614  -0.24306
 Alpha virt. eigenvalues --   -0.01216  -0.01190   0.01481   0.03572   0.04610
 Alpha virt. eigenvalues --    0.05029   0.06540   0.06816   0.07629   0.09856
 Alpha virt. eigenvalues --    0.10004   0.11086   0.11758   0.12860   0.13649
 Alpha virt. eigenvalues --    0.14624   0.14962   0.15308   0.15697   0.16075
 Alpha virt. eigenvalues --    0.17939   0.18393   0.19137   0.19658   0.20095
 Alpha virt. eigenvalues --    0.21150   0.21662   0.23892   0.24009   0.25118
 Alpha virt. eigenvalues --    0.25498   0.25740   0.26780   0.27796   0.27971
 Alpha virt. eigenvalues --    0.28110   0.28967   0.29483   0.30856   0.31548
 Alpha virt. eigenvalues --    0.32787   0.32976   0.33339   0.34140   0.34434
 Alpha virt. eigenvalues --    0.34606   0.35309   0.35620   0.35851   0.37034
 Alpha virt. eigenvalues --    0.38094   0.38305   0.38894   0.39399   0.39987
 Alpha virt. eigenvalues --    0.40004   0.40436   0.40672   0.41237   0.41697
 Alpha virt. eigenvalues --    0.42110   0.42223   0.42793   0.43267   0.43814
 Alpha virt. eigenvalues --    0.44549   0.45201   0.45908   0.47210   0.48262
 Alpha virt. eigenvalues --    0.48617   0.48833   0.49371   0.50933   0.51518
 Alpha virt. eigenvalues --    0.52140   0.53051   0.53465   0.54289   0.55049
 Alpha virt. eigenvalues --    0.55471   0.56562   0.57829   0.58040   0.59388
 Alpha virt. eigenvalues --    0.60727   0.60796   0.61977   0.62699   0.62988
 Alpha virt. eigenvalues --    0.64084   0.64240   0.65895   0.67277   0.67949
 Alpha virt. eigenvalues --    0.68168   0.69892   0.70168   0.72156   0.72617
 Alpha virt. eigenvalues --    0.74542   0.75250   0.76189   0.76790   0.77968
 Alpha virt. eigenvalues --    0.79501   0.81997   0.83141   0.83983   0.86113
 Alpha virt. eigenvalues --    0.87293   0.88207   0.92357   0.94045   0.95617
 Alpha virt. eigenvalues --    0.96067   0.97067   0.97655   0.98742   0.99076
 Alpha virt. eigenvalues --    0.99769   1.00616   1.02743   1.03454   1.04341
 Alpha virt. eigenvalues --    1.06209   1.08037   1.08782   1.12007   1.12287
 Alpha virt. eigenvalues --    1.13846   1.15072   1.16259   1.17404   1.18632
 Alpha virt. eigenvalues --    1.20378   1.20651   1.22852   1.23827   1.25635
 Alpha virt. eigenvalues --    1.27486   1.28539   1.30216   1.32126   1.34725
 Alpha virt. eigenvalues --    1.35675   1.38146   1.39049   1.42367   1.43154
 Alpha virt. eigenvalues --    1.46839   1.49981   1.51377   1.55024   1.58043
 Alpha virt. eigenvalues --    1.58657   1.59302   1.61868   1.63116   1.63809
 Alpha virt. eigenvalues --    1.66251   1.68879   1.70224   1.72525   1.74247
 Alpha virt. eigenvalues --    1.76541   1.80167   1.81931   1.82924   1.84918
 Alpha virt. eigenvalues --    1.86593   1.88063   1.89160   1.90534   1.93262
 Alpha virt. eigenvalues --    1.94458   1.95588   1.96863   1.99175   2.01389
 Alpha virt. eigenvalues --    2.02608   2.03581   2.05608   2.05944   2.07649
 Alpha virt. eigenvalues --    2.09107   2.10837   2.11392   2.13162   2.16094
 Alpha virt. eigenvalues --    2.18386   2.20634   2.22246   2.24455   2.26248
 Alpha virt. eigenvalues --    2.27853   2.30026   2.33877   2.36246   2.37861
 Alpha virt. eigenvalues --    2.39025   2.41718   2.42169   2.45295   2.46771
 Alpha virt. eigenvalues --    2.48116   2.49947   2.52976   2.56628   2.57525
 Alpha virt. eigenvalues --    2.58410   2.64730   2.69177   2.70209   2.75398
 Alpha virt. eigenvalues --    2.83277   2.84129   2.84890   2.85037   2.87114
 Alpha virt. eigenvalues --    2.90684   2.95065   3.01250   3.03074   3.04218
 Alpha virt. eigenvalues --    3.09513   3.11554   3.13371   3.20138   3.22227
 Alpha virt. eigenvalues --    3.22787   3.34406   3.40450   3.62478   3.71343
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.292057  -0.828223   0.465779  -0.201470   0.719739  -0.170675
     2  C   -0.828223   8.234606  -1.109041   0.019749  -0.100714   0.587945
     3  C    0.465779  -1.109041  10.706734  -0.985437   0.476366  -0.215210
     4  C   -0.201470   0.019749  -0.985437   8.514939  -0.685936   0.590027
     5  C    0.719739  -0.100714   0.476366  -0.685936   6.968193  -0.108139
     6  C   -0.170675   0.587945  -0.215210   0.590027  -0.108139   6.729710
     7  C    0.010287  -0.485796   0.365746  -0.631347   0.055966   0.063492
     8  N    0.042303  -0.113869  -0.240864   0.021855  -0.000115   0.006037
     9  C   -0.002997  -0.004574   0.062066  -0.002601   0.004041   0.002925
    10  H   -0.004213   0.055030   0.025458   0.016212   0.000044  -0.000557
    11  H    0.003217   0.077108  -0.150300  -0.113012   0.018830   0.001730
    12  H   -0.001129   0.030694  -0.115743   0.006007   0.000762  -0.000134
    13  H   -0.002232   0.000254  -0.062866   0.029370  -0.004189  -0.000420
    14  H   -0.000138  -0.009085   0.013946  -0.009832   0.000078  -0.000016
    15  H    0.229193   0.088487  -1.293276   0.439584  -0.713907  -0.105515
    16  H   -0.073878   0.172038   0.057103  -0.624170   0.100442  -0.649843
    17  H   -0.524442  -0.027210   0.172839  -0.032327  -0.522512   0.186481
    18  H    0.084436  -0.532609   0.066993   0.206166  -0.101112  -0.683917
    19  H   -0.697699   0.408033  -1.347558   0.069495   0.224145  -0.092806
    20  H    0.002523  -0.090801   0.119053  -0.040575  -0.001967   0.000203
               7          8          9         10         11         12
     1  C    0.010287   0.042303  -0.002997  -0.004213   0.003217  -0.001129
     2  C   -0.485796  -0.113869  -0.004574   0.055030   0.077108   0.030694
     3  C    0.365746  -0.240864   0.062066   0.025458  -0.150300  -0.115743
     4  C   -0.631347   0.021855  -0.002601   0.016212  -0.113012   0.006007
     5  C    0.055966  -0.000115   0.004041   0.000044   0.018830   0.000762
     6  C    0.063492   0.006037   0.002925  -0.000557   0.001730  -0.000134
     7  C    5.923159   0.080743   0.312273   0.033968   0.108165   0.147665
     8  N    0.080743   7.721665  -0.001031  -0.177838  -0.091782  -0.013433
     9  C    0.312273  -0.001031   4.080367  -0.034399  -0.022393   0.248410
    10  H    0.033968  -0.177838  -0.034399   1.078240   0.038475   0.004059
    11  H    0.108165  -0.091782  -0.022393   0.038475   1.287534  -0.003914
    12  H    0.147665  -0.013433   0.248410   0.004059  -0.003914   0.857791
    13  H    0.060248   0.035522   0.195228   0.001989  -0.012472  -0.035009
    14  H    0.097953  -0.035680   0.235065  -0.014381   0.020291  -0.047823
    15  H   -0.413488  -0.003011  -0.012862   0.003982  -0.009084   0.003938
    16  H    0.021677   0.000216   0.000551  -0.000054  -0.002693   0.000056
    17  H   -0.005288  -0.000329  -0.000213   0.000018  -0.000006   0.000021
    18  H   -0.003104   0.002588   0.000571  -0.000402  -0.000057  -0.001452
    19  H   -0.209162  -0.128625   0.005282   0.024610   0.011219   0.018767
    20  H    0.194932  -0.139786   0.009817  -0.058418  -0.007496  -0.006587
              13         14         15         16         17         18
     1  C   -0.002232  -0.000138   0.229193  -0.073878  -0.524442   0.084436
     2  C    0.000254  -0.009085   0.088487   0.172038  -0.027210  -0.532609
     3  C   -0.062866   0.013946  -1.293276   0.057103   0.172839   0.066993
     4  C    0.029370  -0.009832   0.439584  -0.624170  -0.032327   0.206166
     5  C   -0.004189   0.000078  -0.713907   0.100442  -0.522512  -0.101112
     6  C   -0.000420  -0.000016  -0.105515  -0.649843   0.186481  -0.683917
     7  C    0.060248   0.097953  -0.413488   0.021677  -0.005288  -0.003104
     8  N    0.035522  -0.035680  -0.003011   0.000216  -0.000329   0.002588
     9  C    0.195228   0.235065  -0.012862   0.000551  -0.000213   0.000571
    10  H    0.001989  -0.014381   0.003982  -0.000054   0.000018  -0.000402
    11  H   -0.012472   0.020291  -0.009084  -0.002693  -0.000006  -0.000057
    12  H   -0.035009  -0.047823   0.003938   0.000056   0.000021  -0.001452
    13  H    0.925020  -0.032822   0.022726  -0.001348   0.000034   0.000420
    14  H   -0.032822   0.789502  -0.003781   0.000057  -0.000002   0.000035
    15  H    0.022726  -0.003781   2.947033  -0.760582   0.078649  -0.026186
    16  H   -0.001348   0.000057  -0.760582   3.020374  -0.691222   0.082770
    17  H    0.000034  -0.000002   0.078649  -0.691222   2.668581  -0.680218
    18  H    0.000420   0.000035  -0.026186   0.082770  -0.680218   2.977239
    19  H   -0.003561  -0.002753   0.063391  -0.023972   0.072094  -0.669252
    20  H   -0.007576   0.013639  -0.010645   0.000324  -0.000087   0.001352
              19         20
     1  C   -0.697699   0.002523
     2  C    0.408033  -0.090801
     3  C   -1.347558   0.119053
     4  C    0.069495  -0.040575
     5  C    0.224145  -0.001967
     6  C   -0.092806   0.000203
     7  C   -0.209162   0.194932
     8  N   -0.128625  -0.139786
     9  C    0.005282   0.009817
    10  H    0.024610  -0.058418
    11  H    0.011219  -0.007496
    12  H    0.018767  -0.006587
    13  H   -0.003561  -0.007576
    14  H   -0.002753   0.013639
    15  H    0.063391  -0.010645
    16  H   -0.023972   0.000324
    17  H    0.072094  -0.000087
    18  H   -0.669252   0.001352
    19  H    2.830524  -0.049959
    20  H   -0.049959   1.085066
 Mulliken charges:
               1
     1  C   -0.342440
     2  C   -0.372023
     3  C   -1.011789
     4  C   -0.586697
     5  C   -0.330015
     6  C   -0.141319
     7  C    0.271912
     8  N    0.035433
     9  C    0.924473
    10  H    0.008177
    11  H   -0.153360
    12  H   -0.092944
    13  H   -0.108317
    14  H   -0.014253
    15  H    0.475354
    16  H    0.372156
    17  H    0.305138
    18  H    0.275740
    19  H    0.497787
    20  H   -0.013012
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.066700
     2  C    0.125764
     3  C   -1.011789
     4  C   -0.111343
     5  C    0.042141
     6  C    0.163818
     7  C    0.118552
     8  N    0.030598
     9  C    0.708959
 Electronic spatial extent (au):  <R**2>=           1287.9266
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6778    Y=             -0.8178    Z=             -0.6575  Tot=              1.2492
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.8830   YY=            -54.7229   ZZ=            -56.2719
   XY=              1.6813   XZ=              2.2572   YZ=              0.7982
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.7429   YY=             -1.0970   ZZ=             -2.6460
   XY=              1.6813   XZ=              2.2572   YZ=              0.7982
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -11.1094  YYY=             -2.0709  ZZZ=             -6.9757  XYY=              5.7632
  XXY=             -2.0994  XXZ=             -5.6676  XZZ=            -10.8375  YZZ=              3.0991
  YYZ=             -0.5006  XYZ=              3.5394
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1106.7746 YYYY=           -360.8643 ZZZZ=           -195.4643 XXXY=             -4.1662
 XXXZ=             30.7359 YYYX=              5.1400 YYYZ=              8.3296 ZZZX=             15.1885
 ZZZY=             -8.7143 XXYY=           -266.3524 XXZZ=           -241.2690 YYZZ=            -94.5248
 XXYZ=              1.2355 YYXZ=              2.9794 ZZXY=             -6.4685
 N-N= 4.257104317367D+02 E-N=-1.698101852094D+03  KE= 3.617789064137D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:53:54 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6402   -0.6405        0.1744    0.1720
 2      0.6402    0.6405       -2.9351   -2.9351      -13.9346  -13.9338
 3     -0.1744   -0.1720       28.9928   28.9910        2.9334    2.9351
 4      2.9351    2.9351        0.0000    0.0000       -0.1723   -0.1720
 5    -15.0582  -15.0572        0.1723    0.1720       -0.6384   -0.6405
 6     -2.9334   -2.9351        0.6384    0.6405       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9216    1.9216        0.5160    0.5160
 2      8.8054    8.8054        0.0000    0.0000        0.5160    0.5160
 3      8.8054    8.8054        1.9216    1.9216       -0.0000    0.0000
 4      1.9216    1.9216       -8.8054   -8.8054      -41.8015  -41.8015
 5     -0.5160   -0.5160       86.9730   86.9730        8.8054    8.8054
 6    -45.1715  -45.1715        0.5160    0.5160       -1.9216   -1.9216
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0552    0.0000        2.5135    2.5621       -0.6587   -0.6881
 2     -2.5621   -2.5621       11.7390   11.7406       55.6808   55.7353
 3      0.6430    0.6881     -115.9332 -115.9640      -11.7670  -11.7406
 4    -11.7127  -11.7406       -0.0259    0.0000        0.6972    0.6881
 5     60.1020   60.2287       -0.6559   -0.6881        2.6536    2.5621
 6     11.8134   11.7406       -2.7989   -2.5621       -0.0031    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0723    0.0000       -2.9179   -2.9138       -6.5980   -6.6104
 2      2.7889    2.9138      -46.9046  -46.9898      -33.9776  -33.9288
 3      6.6803    6.6104      -23.8394  -23.5767       46.8637   46.9898
 4     46.8632   46.9898        0.0414    0.0000        6.5733    6.6104
 5     57.6839   57.5055       -7.0144   -6.6104       -2.6859   -2.9138
 6    -46.9969  -46.9898        2.8657    2.9138        0.0002    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     35.5749   35.6875        2.8786    2.8856       14.9772   14.9623
 2    102.1227  102.3456       -2.7098   -2.8032       14.9848   14.9623
 3    102.1168  102.3456        2.9399    2.8856       10.5392   10.5173
 4      5.6720    5.6888      -66.5506  -66.6580      -38.7612  -38.7344
 5     -4.4698   -4.4450      -46.3764  -46.1966       66.5479   66.6580
 6     85.2359   84.9309        3.8534    4.4450       -5.3936   -5.6888
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      4.1485                 4.5074                 0.3228
  Dep-P Fr= 1--      0.7497                 0.7470                 0.4555
  Dep-U Fr= 1--      0.8569                 0.8552                 0.6259
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0019
 Beta2  Fr= 1--      0.5925                 0.6425                 0.0337
 AlphaG Fr= 1--      0.0001                 0.0013                -0.0022
 Gamma2 Fr= 1--     -0.6215                -0.3286                -0.1049
 Delta2 Fr= 1--     -0.8528                -0.0045                -0.1078
 Raman1 Fr= 1--      16.594                 18.030                  1.291
 ROA1   Fr= 1--     -86.954                -31.694                -13.522
 CID1   Fr= 1--      -5.240                 -1.758                -10.474
 Raman2 Fr= 1--       7.110                  7.709                  0.404
 ROA2   Fr= 1--      -8.093                 -7.851                 -1.655
 CID2   Fr= 1--      -1.138                 -1.018                 -4.096
 Raman3 Fr= 1--      14.220                 15.419                  0.808
 ROA3   Fr= 1--     -86.954                -31.694                -13.522
 CID3   Fr= 1--      -6.115                 -2.056                -16.733
 RC180  Fr= 1--       0.714                  0.710                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.2295                 1.6985                 0.8870
  Dep-P Fr= 1--      0.6656                 0.4891                 0.2059
  Dep-U Fr= 1--      0.7993                 0.6569                 0.3415
 Alpha2 Fr= 1--      0.0003                 0.0088                 0.0119
 Beta2  Fr= 1--      0.0306                 0.1860                 0.0505
 AlphaG Fr= 1--     -0.0024                -0.0050                -0.0013
 Gamma2 Fr= 1--      0.0189                 0.0720                -0.5315
 Delta2 Fr= 1--      0.0611                -0.0431                -0.0643
 Raman1 Fr= 1--       0.918                  6.794                  3.548
 ROA1   Fr= 1--       3.768                  5.537                -53.079
 CID1   Fr= 1--       4.105                  0.815                -14.960
 Raman2 Fr= 1--       0.367                  2.232                  0.606
 ROA2   Fr= 1--      -0.035                  2.074                -12.241
 CID2   Fr= 1--      -0.095                  0.929                -20.207
 Raman3 Fr= 1--       0.734                  4.463                  1.212
 ROA3   Fr= 1--       3.768                  5.537                -53.079
 CID3   Fr= 1--       5.137                  1.241                -43.812
 RC180  Fr= 1--       0.599                  0.314                 -0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      0.8999                 0.0243                 2.8795
  Dep-P Fr= 1--      0.2793                 0.5647                 0.1021
  Dep-U Fr= 1--      0.4367                 0.7218                 0.1853
 Alpha2 Fr= 1--      0.0098                 0.0001                 0.0502
 Beta2  Fr= 1--      0.0655                 0.0029                 0.0889
 AlphaG Fr= 1--      0.0005                -0.0025                -0.0022
 Gamma2 Fr= 1--      0.4772                -0.1928                 0.1552
 Delta2 Fr= 1--      0.1306                -0.0327                -0.0606
 Raman1 Fr= 1--       3.600                  0.097                 11.518
 ROA1   Fr= 1--      49.987                -19.561                 12.957
 CID1   Fr= 1--      13.886               -201.200                  1.125
 Raman2 Fr= 1--       0.786                  0.035                  1.067
 ROA2   Fr= 1--      10.407                 -4.366                  4.209
 CID2   Fr= 1--      13.242               -124.438                  3.944
 Raman3 Fr= 1--       1.572                  0.070                  2.134
 ROA3   Fr= 1--      49.987                -19.561                 12.957
 CID3   Fr= 1--      31.801               -278.738                  6.072
 RC180  Fr= 1--      -0.127                  0.444                 -0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.5285                 1.2177                 4.2873
  Dep-P Fr= 1--      0.2637                 0.6191                 0.7416
  Dep-U Fr= 1--      0.4174                 0.7648                 0.8516
 Alpha2 Fr= 1--      0.0060                 0.0029                 0.0006
 Beta2  Fr= 1--      0.0368                 0.1552                 0.6085
 AlphaG Fr= 1--     -0.0006                 0.0028                -0.0039
 Gamma2 Fr= 1--      0.1484                -0.0914                -0.0338
 Delta2 Fr= 1--      0.0122                -0.1567                -0.0441
 Raman1 Fr= 1--       2.114                  4.871                 17.149
 ROA1   Fr= 1--      14.636                -13.792                 -4.655
 CID1   Fr= 1--       6.924                 -2.831                 -0.271
 Raman2 Fr= 1--       0.441                  1.863                  7.302
 ROA2   Fr= 1--       3.464                 -0.940                 -0.458
 CID2   Fr= 1--       7.851                 -0.505                 -0.063
 Raman3 Fr= 1--       0.882                  3.725                 14.605
 ROA3   Fr= 1--      14.636                -13.792                 -4.655
 CID3   Fr= 1--      16.588                 -3.702                 -0.319
 RC180  Fr= 1--      -0.165                  0.530                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.0636                16.5545                 0.9260
  Dep-P Fr= 1--      0.0490                 0.0249                 0.7494
  Dep-U Fr= 1--      0.0934                 0.0486                 0.8567
 Alpha2 Fr= 1--      0.0013                 0.3470                 0.0000
 Beta2  Fr= 1--      0.0010                 0.1341                 0.1322
 AlphaG Fr= 1--     -0.0021                -0.0442                 0.0004
 Gamma2 Fr= 1--     -0.0154                 0.5509                 0.3511
 Delta2 Fr= 1--      0.0062                 0.3681                -0.0664
 Raman1 Fr= 1--       0.254                 66.218                  3.704
 ROA1   Fr= 1--      -1.279                 64.669                 31.582
 CID1   Fr= 1--      -5.028                  0.977                  8.526
 Raman2 Fr= 1--       0.012                  1.609                  1.587
 ROA2   Fr= 1--      -0.418                 10.277                  8.957
 CID2   Fr= 1--     -35.229                  6.386                  5.645
 Raman3 Fr= 1--       0.024                  3.219                  3.173
 ROA3   Fr= 1--      -1.279                 64.669                 31.582
 CID3   Fr= 1--     -53.847                 20.091                  9.952
 RC180  Fr= 1--      -0.813                 -0.903                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.7529                 1.0284                 5.3565
  Dep-P Fr= 1--      0.6849                 0.7070                 0.6159
  Dep-U Fr= 1--      0.8130                 0.8284                 0.7623
 Alpha2 Fr= 1--      0.0020                 0.0008                 0.0132
 Beta2  Fr= 1--      0.2375                 0.1420                 0.6805
 AlphaG Fr= 1--      0.0066                -0.0003                 0.0015
 Gamma2 Fr= 1--     -1.1116                 0.8552                 0.5851
 Delta2 Fr= 1--     -0.5337                 0.6316                -0.5524
 Raman1 Fr= 1--       7.011                  4.114                 21.426
 ROA1   Fr= 1--    -123.795                102.307                 38.497
 CID1   Fr= 1--     -17.656                 24.869                  1.797
 Raman2 Fr= 1--       2.850                  1.704                  8.166
 ROA2   Fr= 1--     -22.410                 15.471                 18.463
 CID2   Fr= 1--      -7.863                  9.080                  2.261
 Raman3 Fr= 1--       5.700                  3.408                 16.333
 ROA3   Fr= 1--    -123.795                102.307                 38.497
 CID3   Fr= 1--     -21.718                 30.022                  2.357
 RC180  Fr= 1--       0.626                  0.657                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      0.9650                 0.0207                 0.3747
  Dep-P Fr= 1--      0.6770                 0.5692                 0.3000
  Dep-U Fr= 1--      0.8074                 0.7254                 0.4616
 Alpha2 Fr= 1--      0.0012                 0.0001                 0.0038
 Beta2  Fr= 1--      0.1299                 0.0025                 0.0288
 AlphaG Fr= 1--     -0.0069                 0.0026                -0.0023
 Gamma2 Fr= 1--     -1.3045                 0.1718                 0.4283
 Delta2 Fr= 1--      0.1507                -0.0684                -0.2144
 Raman1 Fr= 1--       3.860                  0.083                  1.499
 ROA1   Fr= 1--    -120.408                 14.307                 34.258
 CID1   Fr= 1--     -31.193                173.152                 22.856
 Raman2 Fr= 1--       1.558                  0.030                  0.346
 ROA2   Fr= 1--     -32.514                  4.671                 11.995
 CID2   Fr= 1--     -20.865                155.869                 34.672
 Raman3 Fr= 1--       3.117                  0.060                  0.692
 ROA3   Fr= 1--    -120.408                 14.307                 34.258
 CID3   Fr= 1--     -38.635                238.686                 49.514
 RC180  Fr= 1--       0.615                  0.451                 -0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      6.4791                52.0320                19.1661
  Dep-P Fr= 1--      0.4562                 0.0522                 0.0482
  Dep-U Fr= 1--      0.6265                 0.0992                 0.0920
 Alpha2 Fr= 1--      0.0387                 1.0225                 0.3802
 Beta2  Fr= 1--      0.6765                 0.8599                 0.2937
 AlphaG Fr= 1--     -0.0162                 0.0599                 0.0056
 Gamma2 Fr= 1--      1.3394                -0.5021                -0.3553
 Delta2 Fr= 1--      0.6299                -0.1303                -0.0407
 Raman1 Fr= 1--      25.916                208.128                 76.664
 ROA1   Fr= 1--     148.738                -52.371                -35.414
 CID1   Fr= 1--       5.739                 -0.252                 -0.462
 Raman2 Fr= 1--       8.119                 10.319                  3.525
 ROA2   Fr= 1--      27.106                -11.007                 -8.202
 CID2   Fr= 1--       3.339                 -1.067                 -2.327
 Raman3 Fr= 1--      16.237                 20.637                  7.050
 ROA3   Fr= 1--     148.738                -52.371                -35.414
 CID3   Fr= 1--       9.160                 -2.538                 -5.023
 RC180  Fr= 1--       0.253                 -0.802                 -0.816
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      4.4666                 6.9457                 4.0144
  Dep-P Fr= 1--      0.1391                 0.1265                 0.5623
  Dep-U Fr= 1--      0.2442                 0.2247                 0.7198
 Alpha2 Fr= 1--      0.0710                 0.1139                 0.0143
 Beta2  Fr= 1--      0.1818                 0.2601                 0.4816
 AlphaG Fr= 1--     -0.0045                 0.0445                 0.0643
 Gamma2 Fr= 1--      0.5235                 1.8412                -3.3277
 Delta2 Fr= 1--     -0.5296                 0.4346                -0.6760
 Raman1 Fr= 1--      17.866                 27.783                 16.057
 ROA1   Fr= 1--      33.309                190.659               -341.095
 CID1   Fr= 1--       1.864                  6.862                -21.242
 Raman2 Fr= 1--       2.181                  3.121                  5.779
 ROA2   Fr= 1--      16.800                 40.711                -74.457
 CID2   Fr= 1--       7.702                 13.045                -12.883
 Raman3 Fr= 1--       4.362                  6.241                 11.559
 ROA3   Fr= 1--      33.309                190.659               -341.095
 CID3   Fr= 1--       7.636                 30.547                -29.509
 RC180  Fr= 1--      -0.512                 -0.551                  0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      4.2020                10.6924                 6.2324
  Dep-P Fr= 1--      0.7449                 0.1880                 0.1983
  Dep-U Fr= 1--      0.8538                 0.3166                 0.3309
 Alpha2 Fr= 1--      0.0004                 0.1499                 0.0850
 Beta2  Fr= 1--      0.5979                 0.5641                 0.3437
 AlphaG Fr= 1--     -0.0002                 0.0558                 0.0177
 Gamma2 Fr= 1--      0.1555                 0.8638                -0.1530
 Delta2 Fr= 1--      0.0952                 1.0103                -0.0072
 Raman1 Fr= 1--      16.808                 42.770                 24.929
 ROA1   Fr= 1--      17.973                115.256                -14.915
 CID1   Fr= 1--       1.069                  2.695                 -0.598
 Raman2 Fr= 1--       7.175                  6.769                  4.125
 ROA2   Fr= 1--       2.970                 12.649                 -3.614
 CID2   Fr= 1--       0.414                  1.869                 -0.876
 Raman3 Fr= 1--      14.351                 13.539                  8.249
 ROA3   Fr= 1--      17.973                115.256                -14.915
 CID3   Fr= 1--       1.252                  8.513                 -1.808
 RC180  Fr= 1--       0.708                 -0.367                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     14.5393                 1.6501                 0.4126
  Dep-P Fr= 1--      0.1848                 0.2299                 0.6888
  Dep-U Fr= 1--      0.3120                 0.3739                 0.8157
 Alpha2 Fr= 1--      0.2055                 0.0207                 0.0004
 Beta2  Fr= 1--      0.7561                 0.1028                 0.0561
 AlphaG Fr= 1--     -0.1507                 0.0390                -0.0021
 Gamma2 Fr= 1--     -1.6872                -0.8411                -0.3689
 Delta2 Fr= 1--      0.1908                -0.1893                 0.1473
 Raman1 Fr= 1--      58.157                  6.600                  1.650
 ROA1   Fr= 1--    -155.869                -86.806                -30.700
 CID1   Fr= 1--      -2.680                -13.152                -18.601
 Raman2 Fr= 1--       9.073                  1.234                  0.673
 ROA2   Fr= 1--     -42.021                -18.672                -10.032
 CID2   Fr= 1--      -4.631                -15.134                -14.904
 Raman3 Fr= 1--      18.146                  2.468                  1.346
 ROA3   Fr= 1--    -155.869                -86.806                -30.700
 CID3   Fr= 1--      -8.590                -35.178                -22.804
 RC180  Fr= 1--      -0.376                 -0.252                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--     10.2964                 4.3640                 0.7484
  Dep-P Fr= 1--      0.3576                 0.2631                 0.7219
  Dep-U Fr= 1--      0.5268                 0.4166                 0.8385
 Alpha2 Fr= 1--      0.0882                 0.0498                 0.0004
 Beta2  Fr= 1--      0.9040                 0.3030                 0.1046
 AlphaG Fr= 1--      0.0177                 0.0918                -0.0014
 Gamma2 Fr= 1--      1.5597                 0.4595                 0.0333
 Delta2 Fr= 1--     -0.0961                -0.8282                 0.0747
 Raman1 Fr= 1--      41.186                 17.456                  2.994
 ROA1   Fr= 1--     146.651                 17.613                  5.587
 CID1   Fr= 1--       3.561                  1.009                  1.866
 Raman2 Fr= 1--      10.848                  3.636                  1.255
 ROA2   Fr= 1--      38.201                 17.654                  0.202
 CID2   Fr= 1--       3.521                  4.855                  0.161
 Raman3 Fr= 1--      21.697                  7.273                  2.510
 ROA3   Fr= 1--     146.651                 17.613                  5.587
 CID3   Fr= 1--       6.759                  2.422                  2.226
 RC180  Fr= 1--       0.054                 -0.167                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.8824                 5.2423                 3.5507
  Dep-P Fr= 1--      0.6380                 0.6687                 0.6389
  Dep-U Fr= 1--      0.7790                 0.8015                 0.7797
 Alpha2 Fr= 1--      0.0058                 0.0076                 0.0071
 Beta2  Fr= 1--      0.3742                 0.7003                 0.4614
 AlphaG Fr= 1--      0.0029                 0.0291                -0.0266
 Gamma2 Fr= 1--      4.8615                -1.1642                -2.5058
 Delta2 Fr= 1--     -1.3539                 1.0098                -0.4724
 Raman1 Fr= 1--      11.530                 20.969                 14.203
 ROA1   Fr= 1--     423.381                -79.447               -255.670
 CID1   Fr= 1--      36.721                 -3.789                -18.001
 Raman2 Fr= 1--       4.491                  8.403                  5.537
 ROA2   Fr= 1--     127.508                -36.018                -56.360
 CID2   Fr= 1--      28.394                 -4.286                -10.179
 Raman3 Fr= 1--       8.981                 16.807                 11.073
 ROA3   Fr= 1--     423.381                -79.447               -255.670
 CID3   Fr= 1--      47.140                 -4.727                -23.089
 RC180  Fr= 1--       0.558                  0.603                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.4447                 8.1744                31.7857
  Dep-P Fr= 1--      0.4120                 0.7450                 0.6301
  Dep-U Fr= 1--      0.5836                 0.8539                 0.7731
 Alpha2 Fr= 1--      0.0032                 0.0007                 0.0693
 Beta2  Fr= 1--      0.0433                 1.1633                 4.0954
 AlphaG Fr= 1--      0.0073                 0.0072                 0.0085
 Gamma2 Fr= 1--     -0.1563                -1.6554                 3.6465
 Delta2 Fr= 1--      0.0032                -0.0545                 0.0348
 Raman1 Fr= 1--       1.779                 32.697                127.143
 ROA1   Fr= 1--     -14.905               -160.663                351.184
 CID1   Fr= 1--      -8.379                 -4.914                  2.762
 Raman2 Fr= 1--       0.519                 13.960                 49.145
 ROA2   Fr= 1--      -3.778                -39.294                 87.238
 CID2   Fr= 1--      -7.278                 -2.815                  1.775
 Raman3 Fr= 1--       1.038                 27.919                 98.289
 ROA3   Fr= 1--     -14.905               -160.663                351.184
 CID3   Fr= 1--     -14.359                 -5.755                  3.573
 RC180  Fr= 1--       0.167                  0.708                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     14.0298                99.2222               231.2941
  Dep-P Fr= 1--      0.5342                 0.2233                 0.0675
  Dep-U Fr= 1--      0.6964                 0.3651                 0.1265
 Alpha2 Fr= 1--      0.0585                 1.2658                 4.3810
 Beta2  Fr= 1--      1.6283                 6.0371                 4.8782
 AlphaG Fr= 1--      0.0817                 1.1500                 0.0763
 Gamma2 Fr= 1--     -1.2906                 2.1452                 1.6026
 Delta2 Fr= 1--     -0.1512                 1.1700                -1.0121
 Raman1 Fr= 1--      56.119                396.889                925.177
 ROA1   Fr= 1--    -128.736                243.376                121.462
 CID1   Fr= 1--      -2.294                  0.613                  0.131
 Raman2 Fr= 1--      19.540                 72.445                 58.538
 ROA2   Fr= 1--     -29.764                 42.124                 46.559
 CID2   Fr= 1--      -1.523                  0.581                  0.795
 Raman3 Fr= 1--      39.079                144.890                117.076
 ROA3   Fr= 1--    -128.736                243.376                121.462
 CID3   Fr= 1--      -3.294                  1.680                  1.037
 RC180  Fr= 1--       0.393                 -0.270                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     92.6028                37.5548                47.8136
  Dep-P Fr= 1--      0.7403                 0.7286                 0.4895
  Dep-U Fr= 1--      0.8508                 0.8430                 0.6573
 Alpha2 Fr= 1--      0.0152                 0.0138                 0.2478
 Beta2  Fr= 1--     13.1311                 5.2763                 5.2376
 AlphaG Fr= 1--     -0.0030                -0.0543                -0.1359
 Gamma2 Fr= 1--     -0.8008                 0.2531                -0.6962
 Delta2 Fr= 1--      0.6392                 0.1810                 0.5752
 Raman1 Fr= 1--     370.411                150.219                191.254
 ROA1   Fr= 1--     -56.423                 30.089                -48.429
 CID1   Fr= 1--      -0.152                  0.200                 -0.253
 Raman2 Fr= 1--     157.573                 63.316                 62.851
 ROA2   Fr= 1--     -24.333                  4.626                -21.311
 CID2   Fr= 1--      -0.154                  0.073                 -0.339
 Raman3 Fr= 1--     315.145                126.632                125.703
 ROA3   Fr= 1--     -56.423                 30.089                -48.429
 CID3   Fr= 1--      -0.179                  0.238                 -0.385
 RC180  Fr= 1--       0.702                  0.686                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--    107.4617                90.4795               142.7954
  Dep-P Fr= 1--      0.6084                 0.7129                 0.1354
  Dep-U Fr= 1--      0.7565                 0.8324                 0.2385
 Alpha2 Fr= 1--      0.2804                 0.0581                 2.2904
 Beta2  Fr= 1--     13.5490                12.5519                 5.6750
 AlphaG Fr= 1--     -0.0628                -0.0278                -0.2533
 Gamma2 Fr= 1--      0.3640                -0.4486                 1.5976
 Delta2 Fr= 1--      0.0010                -0.3828                -2.6541
 Raman1 Fr= 1--     429.847                361.918                571.182
 ROA1   Fr= 1--      34.976                -55.318                 68.439
 CID1   Fr= 1--       0.081                 -0.153                  0.120
 Raman2 Fr= 1--     162.589                150.623                 68.100
 ROA2   Fr= 1--       8.728                 -7.704                 59.575
 CID2   Fr= 1--       0.054                 -0.051                  0.875
 Raman3 Fr= 1--     325.177                301.246                136.201
 ROA3   Fr= 1--      34.976                -55.318                 68.439
 CID3   Fr= 1--       0.108                 -0.184                  0.502
 RC180  Fr= 1--       0.513                  0.665                 -0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    221.7958               199.5730                98.3988
  Dep-P Fr= 1--      0.1013                 0.1090                 0.6992
  Dep-U Fr= 1--      0.1839                 0.1966                 0.8230
 Alpha2 Fr= 1--      3.8714                 3.4179                 0.0871
 Beta2  Fr= 1--      6.7978                 6.5381                13.4971
 AlphaG Fr= 1--      0.0212                -1.5186                 0.2083
 Gamma2 Fr= 1--     -1.5457                -2.8640                -5.9683
 Delta2 Fr= 1--      1.9724                -0.3260                -1.5482
 Raman1 Fr= 1--     887.183                798.292                393.595
 ROA1   Fr= 1--     -85.272               -285.378               -622.501
 CID1   Fr= 1--      -0.096                 -0.357                 -1.582
 Raman2 Fr= 1--      81.574                 78.457                161.965
 ROA2   Fr= 1--     -52.876                -66.129               -130.855
 CID2   Fr= 1--      -0.648                 -0.843                 -0.808
 Raman3 Fr= 1--     163.147                156.913                323.930
 ROA3   Fr= 1--     -85.272               -285.378               -622.501
 CID3   Fr= 1--      -0.523                 -1.819                 -1.922
 RC180  Fr= 1--      -0.632                 -0.607                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135206D+03  0.344030D+00  0.128105D+01
      2   0.344030D+00  0.107338D+03  0.587028D+01
      3   0.128105D+01  0.587028D+01  0.772241D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.196397D+01  0.223689D+01  0.685607D+00
      2   0.437349D+01  0.150004D+02 -0.146019D+02
      3  -0.359941D+01 -0.323879D+02 -0.137523D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661534D+02  0.538685D+01  0.328215D+01
      2  -0.152329D+02 -0.797051D+01 -0.723518D+01
      3  -0.509205D+02  0.258366D+01  0.395303D+01
      4  -0.668617D+01  0.634581D+02  0.368909D+02
      5   0.196678D+02  0.381346D+02 -0.388874D+02
      6   0.162800D+02  0.470552D+01 -0.380058D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443730D+01 -0.816924D+00 -0.165093D+00  0.506992D+01  0.158126D+00
      2  -0.816924D+00  0.212958D+01 -0.245043D+00  0.158126D+00  0.950091D+00
      3  -0.165093D+00 -0.245043D+00  0.715968D+00 -0.443263D+00 -0.115849D+01
                 6             7             8             9            10 
      1  -0.443263D+00  0.678887D+00 -0.816184D+00  0.193007D+01  0.417294D+01
      2  -0.115849D+01 -0.816184D+00 -0.145143D+01  0.347148D+01 -0.403140D+00
      3   0.129291D+01  0.193007D+01  0.347148D+01  0.268865D+01  0.120094D+00
                11            12            13            14            15 
      1  -0.403140D+00  0.120094D+00  0.873224D+01  0.183549D+00  0.130621D+00
      2  -0.321986D+01 -0.694411D+00  0.183549D+00  0.170606D+01 -0.822083D+00
      3  -0.694411D+00 -0.154914D+01  0.130621D+00 -0.822083D+00  0.153860D+01
                16            17            18            19            20 
      1   0.300259D+01 -0.288684D-01 -0.182954D+01 -0.189431D+02 -0.247713D+01
      2  -0.288684D-01 -0.168986D+01  0.297950D+01 -0.247713D+01 -0.245061D+01
      3  -0.182954D+01  0.297950D+01  0.134558D+01  0.630579D+00  0.198888D+00
                21            22            23            24            25 
      1   0.630579D+00 -0.298811D+01  0.100983D+01  0.161535D+01 -0.657353D+00
      2   0.198888D+00  0.100983D+01 -0.502964D+00 -0.407537D+00  0.146060D+01
      3  -0.200867D+01  0.161535D+01 -0.407537D+00 -0.190925D-01 -0.418487D+01
                26            27            28            29            30 
      1   0.146060D+01 -0.418487D+01  0.588576D+01  0.248809D+01  0.544851D+00
      2  -0.584516D+00 -0.507164D+00  0.248809D+01 -0.213296D+01 -0.231896D+00
      3  -0.507164D+00 -0.726402D+00  0.544851D+00 -0.231896D+00 -0.779984D+00
                31            32            33            34            35 
      1  -0.744526D+01 -0.602515D+00  0.369785D+00 -0.921167D+00  0.106487D+01
      2  -0.602515D+00 -0.179595D+01  0.127694D+01  0.106487D+01  0.134844D+01
      3   0.369785D+00  0.127694D+01 -0.141897D+01 -0.851584D+00 -0.329101D+01
                36            37            38            39            40 
      1  -0.851584D+00 -0.304592D+01 -0.608692D+00 -0.277039D+00 -0.562483D+01
      2  -0.329101D+01 -0.608692D+00  0.239006D+01  0.793733D+00 -0.906895D+00
      3  -0.297405D+01 -0.277039D+00  0.793733D+00  0.155691D+01 -0.105905D+01
                41            42            43            44            45 
      1  -0.906895D+00 -0.105905D+01 -0.183049D+01 -0.828274D+00  0.289707D+01
      2  -0.812144D+00  0.125762D+01 -0.828274D+00  0.188088D+01 -0.293433D+01
      3   0.125762D+01 -0.127940D+01  0.289707D+01 -0.293433D+01 -0.142601D+01
                46            47            48            49            50 
      1   0.575517D+01  0.415631D+00 -0.472560D+00  0.961570D+00 -0.409196D+00
      2   0.415631D+00  0.324340D+01  0.241173D+00 -0.409196D+00  0.287486D+00
      3  -0.472560D+00  0.241173D+00  0.224974D+01 -0.142164D+01 -0.539105D+00
                51            52            53            54            55 
      1  -0.142164D+01 -0.300042D-02 -0.142828D+01  0.527035D+01  0.502185D+01
      2  -0.539105D+00 -0.142828D+01  0.172537D-01  0.442058D+00  0.862993D+00
      3   0.151222D-01  0.527035D+01  0.442058D+00  0.795808D+00 -0.130265D+01
                56            57            58            59            60 
      1   0.862993D+00 -0.130265D+01  0.738567D+00  0.237122D+01 -0.255703D+01
      2   0.864439D+00 -0.117984D+01  0.237122D+01  0.557218D+01  0.371609D+01
      3  -0.117984D+01  0.266152D+01 -0.255703D+01  0.371609D+01  0.105724D+01
                61            62            63            64            65 
      1  -0.639840D+01 -0.192237D+01  0.502871D+01  0.786466D+01  0.868533D+00
      2  -0.192237D+01  0.302397D+01  0.284078D+01  0.868533D+00 -0.532606D+00
      3   0.502871D+01  0.284078D+01 -0.214145D+01  0.147532D+01  0.654099D+00
                66            67            68            69            70 
      1   0.147532D+01  0.324510D+01 -0.171555D+01  0.155844D+01  0.156888D+01
      2   0.654099D+00 -0.171555D+01  0.666899D+00 -0.148162D+01  0.341796D+00
      3  -0.192428D+01  0.155844D+01 -0.148162D+01 -0.618830D+00 -0.152135D+01
                71            72            73            74            75 
      1   0.341796D+00 -0.152135D+01  0.968214D+01  0.218434D+01 -0.328914D+00
      2   0.264882D+00 -0.157933D+01  0.218434D+01 -0.202927D+01  0.120152D+01
      3  -0.157933D+01  0.569327D+01 -0.328914D+00  0.120152D+01 -0.290954D+01
                76            77            78            79            80 
      1   0.162711D+01 -0.193466D+01  0.165099D+01  0.630505D+01  0.197067D+01
      2  -0.193466D+01  0.414615D+00 -0.443850D+01  0.197067D+01 -0.282054D+01
      3   0.165099D+01 -0.443850D+01 -0.114907D+01 -0.446056D+01 -0.182963D+01
                81            82            83            84            85 
      1  -0.446056D+01 -0.134487D+02  0.112790D+01 -0.256325D+01  0.432091D-01
      2  -0.182963D+01  0.112790D+01 -0.849647D+00  0.528218D+00 -0.675020D+00
      3   0.155279D+01 -0.256325D+01  0.528218D+00 -0.167100D+01  0.629757D-01
                86            87            88            89            90 
      1  -0.675020D+00  0.629757D-01 -0.316592D+00  0.157556D+00 -0.109786D+01
      2   0.588665D+00  0.839047D-01  0.157556D+00  0.373674D+00  0.231852D+00
      3   0.839047D-01 -0.514153D-01 -0.109786D+01  0.231852D+00 -0.677785D+00
                91            92            93            94            95 
      1  -0.428824D-01 -0.141505D+01 -0.484181D+00 -0.279795D+01 -0.141913D+01
      2  -0.141505D+01 -0.118296D+01 -0.274082D+00 -0.141913D+01 -0.709242D+01
      3  -0.484181D+00 -0.274082D+00 -0.947632D+00 -0.416093D+00 -0.215980D+01
                96            97            98            99           100 
      1  -0.416093D+00 -0.525951D+00 -0.359325D+00 -0.124448D+01 -0.444672D+00
      2  -0.215980D+01 -0.359325D+00 -0.298849D+01 -0.218821D+01  0.535209D+00
      3  -0.216300D+01 -0.124448D+01 -0.218821D+01 -0.191475D+01  0.410973D+00
               101           102           103           104           105 
      1   0.535209D+00  0.410973D+00  0.164394D+01 -0.500480D-01 -0.788226D+00
      2   0.372337D+00  0.269436D-02 -0.500480D-01  0.316350D+01  0.231385D+01
      3   0.269436D-02  0.833816D+00 -0.788226D+00  0.231385D+01  0.342830D+01
               106           107           108           109           110 
      1   0.624893D+00 -0.271823D+00 -0.965546D-01  0.133091D+00 -0.106958D+01
      2  -0.271823D+00  0.191262D+01  0.166038D+01 -0.106958D+01  0.141417D+01
      3  -0.965546D-01  0.166038D+01  0.362114D+01  0.585433D+00 -0.995373D+00
               111           112           113           114           115 
      1   0.585433D+00 -0.150015D+01  0.523378D+00 -0.220306D+00  0.190362D+00
      2  -0.995373D+00  0.523378D+00 -0.452044D+01  0.283948D+01 -0.372821D+00
      3   0.166227D+01 -0.220306D+00  0.283948D+01 -0.254494D+01  0.508379D+00
               116           117           118           119           120 
      1  -0.372821D+00  0.508379D+00 -0.143687D+02 -0.224484D+01  0.200793D+01
      2   0.192365D+01 -0.171102D+01 -0.224484D+01 -0.123962D+01  0.384661D+00
      3  -0.171102D+01  0.258434D+01  0.200793D+01  0.384661D+00 -0.159642D+01
               121           122           123           124           125 
      1  -0.217286D+01 -0.162232D+01  0.211532D+00 -0.106735D+01 -0.263465D+00
      2  -0.162232D+01 -0.878949D+00  0.657591D+00 -0.263465D+00  0.762154D-01
      3   0.211532D+00  0.657591D+00 -0.222997D+00 -0.765917D+00 -0.321229D-01
               126           127           128           129           130 
      1  -0.765917D+00 -0.166229D+01 -0.166702D+01 -0.539532D+00 -0.154269D+01
      2  -0.321229D-01 -0.166702D+01 -0.212551D+01 -0.626706D+00 -0.197187D+01
      3  -0.350193D-01 -0.539532D+00 -0.626706D+00 -0.390922D+00 -0.555741D+00
               131           132           133           134           135 
      1  -0.197187D+01 -0.555741D+00 -0.644416D+00 -0.696376D+00 -0.121929D+00
      2  -0.802787D+01 -0.210629D+01 -0.696376D+00 -0.222897D+01 -0.712625D+00
      3  -0.210629D+01 -0.136235D+01 -0.121929D+00 -0.712625D+00 -0.454933D+00
               136           137           138           139           140 
      1   0.500630D+01 -0.391533D+01 -0.749941D+00 -0.378643D+01  0.449683D+01
      2  -0.391533D+01  0.353942D+01  0.575995D+00  0.449683D+01 -0.657432D+01
      3  -0.749941D+00  0.575995D+00  0.628895D+00  0.970543D+00 -0.124222D+01
               141           142           143           144           145 
      1   0.970543D+00 -0.766980D+00  0.851809D+00  0.278954D+00  0.135429D+02
      2  -0.124222D+01  0.851809D+00 -0.145502D+01 -0.392452D+00  0.123229D+01
      3  -0.967055D+00  0.278954D+00 -0.392452D+00 -0.274384D+00  0.102139D+01
               146           147           148           149           150 
      1   0.123229D+01  0.102139D+01  0.115065D+01  0.168437D+01  0.459433D+00
      2   0.887968D+00  0.669141D-01  0.168437D+01  0.460230D+00  0.155638D+00
      3   0.669141D-01  0.955908D+00  0.459433D+00  0.155638D+00  0.147192D+00
               151           152           153           154           155 
      1   0.102312D+01  0.438293D+00  0.220116D+00  0.238127D+01  0.267472D+01
      2   0.438293D+00  0.123325D+00  0.376321D-01  0.267472D+01  0.284658D+01
      3   0.220116D+00  0.376321D-01  0.179600D+00  0.771908D+00  0.738680D+00
               156           157           158           159           160 
      1   0.771908D+00  0.239832D+01  0.384238D+01  0.100077D+01  0.823947D+00
      2   0.738680D+00  0.384238D+01  0.925277D+01  0.220231D+01  0.109651D+01
      3   0.531386D+00  0.100077D+01  0.220231D+01  0.138784D+01  0.351390D+00
               161           162           163           164           165 
      1   0.109651D+01  0.351390D+00 -0.366513D+01  0.216174D+01  0.814708D-01
      2   0.235464D+01  0.700874D+00  0.216174D+01 -0.256168D+01 -0.348938D+00
      3   0.700874D+00  0.448298D+00  0.814708D-01 -0.348938D+00 -0.462818D+00
               166           167           168           169           170 
      1   0.241525D+01 -0.270466D+01 -0.521861D+00  0.212544D+00 -0.535168D+00
      2  -0.270466D+01  0.573296D+01  0.911080D+00 -0.535168D+00  0.117006D+01
      3  -0.521861D+00  0.911080D+00  0.862371D+00 -0.688209D-01  0.282018D+00
               171           172           173           174           175 
      1  -0.688209D-01  0.612554D+00  0.662744D-01 -0.766773D+00 -0.167578D+00
      2   0.282018D+00  0.662744D-01  0.636770D+00 -0.790280D+00 -0.257817D+00
      3   0.277533D+00 -0.766773D+00 -0.790280D+00  0.244398D+01 -0.472430D-01
               176           177           178           179           180 
      1  -0.257817D+00 -0.472430D-01 -0.129857D+01  0.140842D+00 -0.241560D+00
      2   0.140961D+01 -0.105886D+01  0.140842D+00 -0.125078D+01  0.253132D+01
      3  -0.105886D+01  0.206754D+01 -0.241560D+00  0.253132D+01 -0.856222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.232451D-01  0.118194D+01 -0.176269D+01  0.161794D+01 -0.433659D-01
      2  -0.883448D+00  0.277591D+01  0.118474D+01  0.148290D+01 -0.317028D+01
      3   0.283739D+01 -0.128909D+02 -0.248341D+01  0.331518D+01 -0.779252D+00
                 6             7             8             9            10 
      1  -0.223204D+01 -0.504313D+01  0.566683D+00 -0.108445D+01 -0.470680D+00
      2   0.321043D+01 -0.845939D+01  0.832181D+01  0.475074D+01  0.163841D+01
      3   0.189917D+01 -0.605196D+00  0.405601D+01 -0.424917D+01  0.606404D+00
                11            12            13            14            15 
      1   0.209500D-01  0.217317D+01 -0.751032D+00  0.962185D-01 -0.231557D+01
      2   0.435131D+00 -0.107952D+01  0.465795D+01  0.736072D+00  0.958425D+00
      3   0.301450D+00  0.121909D+01  0.184544D+01 -0.727486D+01  0.108343D+01
                16            17            18            19            20 
      1   0.714103D+01  0.352367D+01  0.526995D+00 -0.121514D+01 -0.462291D+00
      2  -0.124128D+02  0.310950D+00  0.440390D+00 -0.411890D+01 -0.132959D+01
      3  -0.112914D+01 -0.685448D+00 -0.639208D+01  0.470213D+00  0.823465D+01
                21            22            23            24            25 
      1   0.284796D+00 -0.107853D+01 -0.371185D+01  0.585778D+00 -0.266600D+00
      2  -0.194320D+01 -0.195704D+01  0.670251D+00 -0.321747D-01 -0.148317D+02
      3   0.905896D+00  0.190419D+02  0.231522D+01 -0.206706D+01  0.883481D-01
                26            27            28            29            30 
      1   0.954000D+01  0.226448D+01  0.229340D+00  0.133103D+01 -0.142211D+01
      2   0.272678D+00  0.117359D+00  0.396776D+01  0.156220D+01 -0.225846D+00
      3  -0.880538D-01  0.515441D+00 -0.570215D+01 -0.322036D+01 -0.227671D+01
                31            32            33            34            35 
      1   0.108035D+01  0.795829D+00 -0.230125D+01 -0.539228D+01  0.131593D+01
      2   0.230717D+01 -0.691581D+00 -0.106099D+01 -0.141443D+02 -0.138242D+01
      3   0.265991D+01  0.661581D+01 -0.128413D-01 -0.317276D+01 -0.163652D+01
                36            37            38            39            40 
      1  -0.521342D+00 -0.658746D+00 -0.899254D+00  0.224599D+01 -0.177987D+01
      2  -0.327510D+01 -0.131268D+01  0.205131D+01  0.278853D+01 -0.140245D+01
      3   0.525328D+01  0.399291D+01 -0.106074D+02 -0.210561D+01  0.723785D+01
                41            42            43            44            45 
      1  -0.477230D+00 -0.165372D+01  0.695568D+01  0.333965D+01  0.147138D+01
      2   0.362628D+01 -0.385551D+01 -0.392036D+01 -0.998287D+01 -0.395715D+01
      3   0.128729D+01 -0.214978D+01  0.199999D+00 -0.343275D+01  0.413754D+01
                46            47            48            49            50 
      1   0.414663D+00 -0.711135D+00 -0.724186D+00 -0.718891D+00 -0.275986D+01
      2   0.495346D+00 -0.138302D+00  0.608291D+01 -0.508238D+01 -0.107116D+00
      3  -0.257608D+01 -0.652928D+01 -0.956004D-02  0.119627D+02 -0.163742D+01
                51            52            53            54            55 
      1   0.687129D+00 -0.205261D+01  0.114755D+02  0.295903D+01 -0.910854D+00
      2   0.660117D+00  0.747496D+01  0.240247D+01  0.189059D+01  0.367018D+01
      3   0.103042D+01  0.414685D+01  0.466867D+00 -0.763970D+00 -0.776879D+00
                56            57            58            59            60 
      1  -0.464479D+00 -0.106425D+01  0.332594D+01  0.366983D+01  0.113866D+01
      2   0.156365D+01 -0.264182D+01  0.238866D+01 -0.785530D+01 -0.231912D+01
      3  -0.145522D+01  0.721940D+00  0.858628D+01  0.721784D+01  0.817657D+01
                61            62            63            64            65 
      1   0.293184D+01  0.455692D+01 -0.162474D+01 -0.224487D+01  0.205555D+01
      2  -0.166280D+02 -0.701999D+01  0.379013D+01  0.263697D+01 -0.177932D+01
      3   0.661454D+00  0.116333D+02  0.408003D+01  0.171402D+02 -0.695265D+01
                66            67            68            69            70 
      1   0.274870D+01 -0.543977D+00 -0.278797D+01 -0.254882D+01 -0.108351D+01
      2   0.946838D+01  0.338797D+00  0.189209D+01  0.217009D+01  0.732358D+00
      3   0.523231D+01  0.334281D+01  0.321152D+01 -0.307272D+01  0.220192D+01
                71            72            73            74            75 
      1   0.644477D+01 -0.826188D+01  0.368158D+01 -0.326136D+01 -0.161982D+00
      2   0.542408D+01 -0.149526D+02 -0.133694D+02 -0.589207D+01  0.110320D+02
      3  -0.107916D+00 -0.590871D+01  0.195285D+00 -0.100145D+02  0.209421D+01
                76            77            78            79            80 
      1  -0.551645D+00 -0.118037D+01 -0.116305D+02 -0.141965D+01 -0.580589D+01
      2  -0.572592D+01  0.141695D+02  0.165952D+01  0.810296D+01  0.351768D+01
      3  -0.286070D+01  0.276527D+01 -0.150010D+02  0.766072D+00 -0.128504D+02
                81            82            83            84            85 
      1  -0.721050D+00  0.207964D+01  0.916999D+00  0.114014D+01  0.151169D-03
      2   0.726087D+00 -0.486879D+01 -0.308801D+00  0.491033D+01 -0.803709D+00
      3  -0.174445D+01 -0.118870D+02 -0.433915D+01 -0.160225D+01 -0.163277D+01
                86            87            88            89            90 
      1  -0.270595D+00 -0.480578D+00  0.232614D+00  0.154879D+00  0.189994D+00
      2  -0.689022D+00  0.884781D+00  0.105601D+01 -0.611936D-01  0.992772D+00
      3   0.757302D+00  0.746957D+00 -0.399721D+00  0.537354D+00 -0.400960D+00
                91            92            93            94            95 
      1  -0.768956D+00 -0.311231D+00 -0.815303D+00 -0.114061D+01 -0.503810D-01
      2   0.118337D+01  0.247893D+00  0.254287D+01 -0.590391D+00  0.421166D+01
      3  -0.346099D+01 -0.215533D+01 -0.356235D+00  0.356007D+01 -0.133750D+02
                96            97            98            99           100 
      1  -0.453200D+01 -0.954257D+00  0.387302D-01 -0.227033D+01  0.163649D+01
      2   0.405407D+01  0.354513D+00  0.329016D+01  0.312006D+01 -0.174396D+01
      3  -0.408647D+01  0.125082D+01 -0.606142D+01 -0.326335D+01  0.241044D+01
               101           102           103           104           105 
      1   0.138398D+01  0.193174D+00  0.493751D+00  0.773272D+01  0.361012D+01
      2  -0.991490D+00 -0.180320D+01 -0.158805D+01 -0.674335D+01 -0.793008D+01
      3   0.997140D+00  0.894383D-02  0.184423D+01  0.902147D+01  0.680869D+01
               106           107           108           109           110 
      1  -0.380808D+00  0.586092D+01  0.452435D+01 -0.170888D+01  0.220461D+01
      2  -0.230771D+01 -0.425232D+01 -0.844594D+01 -0.326468D+01  0.342457D+01
      3  -0.468274D+00  0.547115D+01  0.478715D+01 -0.430181D+01  0.420290D+01
               111           112           113           114           115 
      1   0.573485D+00  0.125751D+01 -0.517718D+01  0.321878D+00  0.357705D+00
      2  -0.343813D+01  0.373210D+01 -0.820698D+01  0.627676D+01 -0.347709D+01
      3  -0.238685D+01  0.538194D+01 -0.114526D+02  0.731348D+01 -0.135103D+01
               116           117           118           119           120 
      1   0.335097D+01 -0.120050D+00 -0.127457D+01 -0.200024D+01 -0.137054D+01
      2   0.473052D+01 -0.649855D+01  0.105876D+02  0.126555D+01  0.623398D+01
      3   0.519075D+01 -0.498987D+01  0.350896D+01 -0.548298D+01  0.107701D+00
               121           122           123           124           125 
      1  -0.178710D+01 -0.507780D+00 -0.135250D+00 -0.905776D+00  0.105357D+01
      2   0.190326D+01 -0.354028D+00  0.930110D+00  0.130226D+01 -0.478670D-01
      3  -0.192783D+01 -0.159224D+01  0.181848D+01 -0.803397D-01  0.136937D+01
               126           127           128           129           130 
      1  -0.283330D+00  0.143125D+00  0.391936D+00 -0.146583D+01  0.120307D+00
      2   0.933335D+00 -0.183751D+01 -0.114137D+01 -0.283243D-01 -0.174454D+01
      3   0.806853D+00  0.651595D+01  0.339794D+01  0.136134D+01  0.679737D+01
               131           132           133           134           135 
      1   0.858563D+00 -0.385101D+01  0.666940D+00  0.214368D+01 -0.648117D+00
      2  -0.237266D+01 -0.101321D+00 -0.191262D+01 -0.616238D+00  0.638774D-01
      3   0.843506D+01  0.265906D+01  0.250772D+01  0.244336D+01  0.422401D+00
               136           137           138           139           140 
      1   0.183923D+00 -0.636560D+00  0.217309D+01  0.267465D+00  0.325779D+00
      2  -0.166191D-01  0.592075D-01  0.280059D+01  0.946838D+00 -0.174554D+01
      3   0.161140D+01 -0.476387D+01 -0.322238D+00 -0.365924D+01  0.110038D+02
               141           142           143           144           145 
      1  -0.320928D+01 -0.893827D+00  0.136961D+01 -0.413774D+00 -0.157665D+00
      2  -0.347712D+01 -0.564361D+00  0.305370D+00 -0.534410D+00  0.124943D+01
      3   0.166219D+01 -0.104700D+01  0.259225D+01  0.471947D+00 -0.521246D+00
               146           147           148           149           150 
      1   0.378974D+00 -0.574534D+00  0.420062D-01  0.252206D-01 -0.385855D+00
      2  -0.607153D-01  0.613411D+01  0.166453D+01  0.367561D+00  0.863250D+00
      3  -0.527296D+01  0.130730D+00 -0.401426D+01 -0.120416D+01 -0.389358D+00
               151           152           153           154           155 
      1   0.333577D+00  0.454206D+00 -0.626022D-01 -0.239830D+00  0.110589D+00
      2  -0.212737D+01 -0.107037D+00  0.441140D+00  0.342869D+00  0.587306D+00
      3  -0.133654D+01 -0.754896D+00 -0.458569D-01 -0.801250D+00 -0.248327D+01
               156           157           158           159           160 
      1  -0.166023D+01 -0.247436D+00  0.523606D+00 -0.423508D+01  0.533219D+00
      2   0.165363D+01  0.619345D+00  0.315159D+01  0.346692D+01 -0.356983D+00
      3  -0.415982D+00 -0.150321D+01 -0.133429D+02 -0.287814D+01 -0.390796D+00
               161           162           163           164           165 
      1   0.174873D+01 -0.752402D+00  0.994589D+00 -0.801766D+00  0.231374D+01
      2   0.325528D+00  0.933922D+00  0.237773D+01 -0.873475D+00  0.637057D+00
      3  -0.357984D+01 -0.846576D+00 -0.105187D+02  0.370073D+01 -0.316687D+00
               166           167           168           169           170 
      1  -0.983383D-01  0.179079D-01 -0.300998D+01 -0.211057D+00  0.183844D+01
      2  -0.102911D+01  0.131728D+01 -0.966169D+00 -0.155274D+01  0.456125D+00
      3   0.695680D+01 -0.477478D+01 -0.122750D+01 -0.274568D+00 -0.148250D+01
               171           172           173           174           175 
      1  -0.277097D+00  0.263596D+00 -0.428246D+00 -0.282463D+01 -0.148222D+00
      2  -0.503037D+00  0.390657D+01  0.147751D+01 -0.569712D+01 -0.117959D+00
      3  -0.142982D-01  0.108256D+01  0.166283D+01 -0.244001D+01  0.670242D+00
               176           177           178           179           180 
      1  -0.141852D-01 -0.243456D+01 -0.374738D+00  0.699254D+00  0.803832D+01
      2   0.179360D+01 -0.539199D+01 -0.393240D+01 -0.605968D+01  0.193280D+02
      3   0.297497D+01 -0.167510D+01 -0.156782D+01 -0.308066D+01  0.814465D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.784207D+01 -0.191670D+02 -0.295113D+01  0.220104D+02  0.119190D+02
      2  -0.837126D+01  0.120427D+02  0.545739D+00 -0.183745D+02 -0.148121D+02
      3   0.529186D+00  0.712435D+01  0.240540D+01 -0.363591D+01  0.289306D+01
      4  -0.137784D+02 -0.619819D+01 -0.389015D+01  0.909292D+01 -0.458674D+01
      5  -0.625970D+01 -0.205296D+01 -0.120561D+01  0.157487D+00 -0.724573D+01
      6  -0.534234D+01 -0.139687D+01  0.315470D+01 -0.550529D+01 -0.114892D+02
                 6             7             8             9            10 
      1   0.456280D+01  0.548615D+01  0.130136D+01 -0.539451D+01  0.658153D+00
      2  -0.670415D+01 -0.871913D+01 -0.966995D+01 -0.512169D+01 -0.111575D+01
      3   0.214135D+01  0.323298D+01  0.836860D+01  0.105162D+02  0.457600D+00
      4  -0.680927D+01 -0.332379D+01 -0.113114D+02  0.130537D+02  0.954108D+01
      5   0.668198D+01  0.118657D+02  0.135052D+02  0.978349D+01  0.359055D+01
      6   0.280161D+01  0.584941D+01  0.125056D+02  0.345022D+01  0.242940D+01
                11            12            13            14            15 
      1   0.148594D+02  0.393236D+01 -0.510038D+01  0.118746D+01  0.433980D+01
      2  -0.113390D+02 -0.678286D-01  0.132661D+02 -0.349370D+01 -0.352135D+01
      3  -0.352040D+01 -0.386453D+01 -0.816570D+01  0.230624D+01 -0.818458D+00
      4  -0.111381D+02 -0.909766D+00  0.223650D+01  0.131984D+02  0.272483D+01
      5  -0.188690D+01 -0.168222D+01  0.397927D+01  0.288014D+01 -0.634822D+00
      6  -0.137490D+01 -0.437448D+01  0.896971D+01 -0.538773D+01  0.431424D+01
                16            17            18            19            20 
      1  -0.218898D+01  0.555473D+01 -0.134030D+02 -0.197729D+02 -0.261455D+01
      2   0.808746D+01 -0.827979D+01  0.207065D+01  0.474093D+01  0.218604D+01
      3  -0.589848D+01  0.272506D+01  0.113323D+02  0.150320D+02  0.428508D+00
      4   0.269057D+01  0.218155D+01  0.356581D+01  0.590734D+01  0.294299D+01
      5   0.318044D+01  0.219432D+01 -0.300884D+00 -0.975128D+01 -0.148202D+01
      6  -0.315473D+01  0.109929D+02 -0.134361D+00 -0.477458D+01  0.389270D+00
                21            22            23            24            25 
      1  -0.302252D+01  0.729038D+00 -0.847881D+01 -0.173909D+01 -0.616275D+01
      2   0.540767D+00 -0.314661D+01  0.130394D+02  0.732620D+01 -0.747529D+00
      3   0.248175D+01  0.241757D+01 -0.456064D+01 -0.558712D+01  0.691028D+01
      4  -0.836031D+00 -0.817384D+01 -0.134542D+01  0.149256D+01 -0.599930D+01
      5   0.128216D+01 -0.621960D+01  0.136080D+01 -0.272758D+00  0.582558D+01
      6   0.123292D+01 -0.294644D+01  0.598665D+01 -0.601951D-01  0.432382D+00
                26            27            28            29            30 
      1  -0.232871D+01 -0.839796D+01  0.114152D+02 -0.848871D+01 -0.174381D+00
      2   0.479431D+01 -0.376486D+01 -0.725553D+01  0.655817D+01 -0.873291D+00
      3  -0.246560D+01  0.121628D+02 -0.415966D+01  0.193054D+01  0.104767D+01
      4   0.154028D+01  0.123963D+01 -0.687314D+01 -0.177429D+02 -0.370294D+01
      5   0.929491D+00 -0.102901D+01  0.206743D+01 -0.238769D+01 -0.378955D+01
      6   0.616151D+01 -0.348548D+01 -0.104817D+01 -0.142674D+01  0.323420D+01
                31            32            33            34            35 
      1   0.170184D+01  0.894675D+01  0.611349D+01  0.310997D+01  0.446493D+01
      2  -0.101003D+02 -0.114266D+02 -0.792060D+01 -0.557441D+01 -0.116834D+02
      3   0.839850D+01  0.247990D+01  0.180711D+01  0.246443D+01  0.721847D+01
      4   0.111259D+02 -0.130648D+02 -0.259859D+01 -0.896284D+00 -0.299768D+01
      5  -0.115899D+01 -0.295633D+01 -0.821492D-01  0.366262D+01 -0.542693D+01
      6  -0.675747D+01 -0.112658D+02  0.221598D+01  0.131341D+01  0.123084D+02
                36            37            38            39            40 
      1  -0.146279D+02 -0.757846D+00  0.217674D+02  0.580648D+01 -0.270190D+02
      2   0.283384D-02 -0.355797D+01 -0.134325D+02 -0.628242D+00  0.240065D+02
      3   0.146250D+02  0.431582D+01 -0.833493D+01 -0.517823D+01  0.301248D+01
      4  -0.694736D+01  0.161583D+02  0.161917D+01  0.173882D+01  0.298719D+00
      5  -0.454403D+01  0.314345D+00 -0.153806D+00  0.529471D+01 -0.674059D+01
      6   0.470073D+01 -0.414804D+00 -0.162243D+01 -0.550328D+01  0.781562D+01
                41            42            43            44            45 
      1   0.357361D+01  0.133880D+00 -0.874622D+01  0.390792D+01  0.218758D+01
      2  -0.692988D+01 -0.944174D+00  0.113753D+02 -0.793547D+01 -0.803879D+01
      3   0.335627D+01  0.810294D+00 -0.262905D+01  0.402755D+01  0.585120D+01
      4   0.106245D+02  0.100722D+02 -0.253432D+01  0.107408D+02 -0.139672D+02
      5   0.857039D+01 -0.735672D+01  0.180359D+02 -0.143790D+02 -0.904648D+01
      6  -0.672269D+01  0.325385D+01 -0.650226D+01  0.108193D+02 -0.102415D+01
                46            47            48            49            50 
      1  -0.143971D+02 -0.399547D+01 -0.535371D+01  0.856553D+01 -0.194321D+02
      2   0.102545D+02  0.322293D+01  0.251678D+01 -0.672978D+01  0.160370D+02
      3   0.414266D+01  0.772547D+00  0.283692D+01 -0.183575D+01  0.339509D+01
      4  -0.311787D+01  0.222727D+02  0.137855D+01 -0.166978D+02 -0.332415D+01
      5  -0.391729D+01  0.115297D+01  0.145343D+02 -0.133417D+02 -0.122201D+01
      6   0.178298D+01  0.685168D+00  0.180261D+01 -0.313417D+01  0.362836D+01
                51            52            53            54            55 
      1  -0.868191D+01 -0.386173D+01 -0.957071D+01  0.141727D+02  0.129614D+02
      2   0.960693D+01 -0.647811D+00  0.691634D+01 -0.158554D+02 -0.305107D+01
      3  -0.925017D+00  0.450954D+01  0.265436D+01  0.168266D+01 -0.991035D+01
      4  -0.386243D+01 -0.142647D+02 -0.165656D+01  0.211662D+01  0.199523D+00
      5   0.624392D+00  0.346801D+02  0.325646D+01  0.480325D+01  0.709196D+01
      6  -0.107987D+01  0.137789D+01  0.497011D+01 -0.396026D+01  0.272130D+01
                56            57            58            59            60 
      1   0.653802D+00 -0.162652D+01  0.109637D+02  0.682489D+01  0.811197D+01
      2   0.237043D+01 -0.152840D+01 -0.674767D+01 -0.131614D+02 -0.163197D+02
      3  -0.302423D+01  0.315492D+01 -0.421602D+01  0.633656D+01  0.820775D+01
      4  -0.906142D+01  0.351138D+01 -0.134690D+02 -0.226936D+02 -0.172862D+02
      5   0.361213D+01 -0.150397D+02  0.171866D+02 -0.149063D+02 -0.218136D+01
      6  -0.339765D+00 -0.801577D+00 -0.500973D+01 -0.131670D+02 -0.702144D+01
                61            62            63            64            65 
      1   0.551059D+01  0.732655D+01 -0.630369D+01 -0.405797D+02  0.157649D+01
      2  -0.114039D+02 -0.554258D+01  0.701402D+01  0.264188D+02 -0.479467D+01
      3   0.589332D+01 -0.178397D+01 -0.710334D+00  0.141609D+02  0.321818D+01
      4   0.132569D+02 -0.160310D+02 -0.133353D+02  0.147178D+01  0.105405D+02
      5  -0.298824D+02 -0.130265D+02  0.970078D+01 -0.185846D+02 -0.116300D+01
      6  -0.839545D+01 -0.949053D+01  0.182898D+01 -0.492465D+00  0.114805D+01
                66            67            68            69            70 
      1  -0.114049D+02 -0.105868D+02 -0.384632D+01 -0.400251D+01 -0.849965D+01
      2   0.144377D+01  0.267669D+01  0.142093D+02 -0.437340D+00  0.246663D+01
      3   0.996113D+01  0.791009D+01 -0.103630D+02  0.443985D+01  0.603303D+01
      4   0.826656D+00  0.168675D+02 -0.909056D+01  0.932183D+01 -0.667560D+00
      5   0.103401D+02 -0.113976D+02  0.793698D+01  0.252794D+00  0.911369D+01
      6  -0.344604D+01  0.534410D+01 -0.356938D+01  0.587234D+01 -0.109681D+01
                71            72            73            74            75 
      1  -0.841867D+00  0.163538D+02 -0.589752D+02 -0.167108D+02  0.105856D+02
      2  -0.720911D+01  0.132331D+01  0.244963D+02  0.101757D+02 -0.181103D+01
      3   0.805098D+01 -0.176771D+02  0.344790D+02  0.653509D+01 -0.877458D+01
      4   0.769112D+00  0.346917D+01 -0.226114D+02  0.720424D+01 -0.318007D+01
      5   0.571569D+01 -0.192850D+02  0.158799D+02 -0.470026D+00  0.125734D+02
      6   0.248633D+01  0.974934D+01  0.470653D+01 -0.696378D+01  0.399529D+01
                76            77            78            79            80 
      1  -0.173763D+02  0.192516D+02 -0.448920D+01  0.207346D-01 -0.615857D+01
      2   0.923813D+01 -0.504975D+01  0.137237D+02  0.978705D+01  0.118923D+02
      3   0.813818D+01 -0.142018D+02 -0.923453D+01 -0.980778D+01 -0.573372D+01
      4   0.732347D+01  0.221110D+01  0.184828D+02 -0.951486D+01  0.130062D+02
      5  -0.389519D+01  0.139600D+02  0.810508D+01  0.257762D+02  0.114571D+02
      6  -0.400073D+01  0.410086D+01 -0.128551D+02  0.921806D+01 -0.815879D+01
                81            82            83            84            85 
      1   0.124427D+02  0.768395D+02 -0.415590D+01  0.106932D+02  0.416465D+01
      2  -0.127083D+02 -0.447905D+02  0.208926D+01 -0.914326D+01 -0.205047D+01
      3   0.265572D+00 -0.320490D+02  0.206664D+01 -0.154998D+01 -0.211418D+01
      4   0.117234D+02 -0.162487D+02  0.738485D+01 -0.435335D+01  0.665957D+01
      5  -0.134316D+02  0.309044D+02 -0.372164D+01  0.139935D+02  0.655328D-01
      6  -0.549425D+01 -0.301405D+01  0.224209D+01 -0.270311D+01  0.196085D+01
                86            87            88            89            90 
      1   0.353262D+01 -0.116479D+01  0.321666D+01 -0.604350D+00  0.461110D+01
      2  -0.667991D+00  0.961808D+00 -0.317467D+01  0.823560D+00 -0.453313D+01
      3  -0.286463D+01  0.202984D+00 -0.419943D-01 -0.219209D+00 -0.779647D-01
      4  -0.220770D+01  0.355455D+00 -0.186610D+01 -0.162695D+00 -0.152698D+01
      5   0.533235D+00  0.190177D+00  0.111596D+02 -0.155247D+01  0.603204D+01
      6  -0.207682D+00  0.131302D+01 -0.156383D+01  0.108752D+01 -0.106208D+01
                91            92            93            94            95 
      1   0.731467D+00  0.257117D+01  0.191913D+01  0.678615D+00 -0.137747D+02
      2   0.197842D+01  0.104938D+00  0.107652D+00  0.220709D+01  0.215225D+02
      3  -0.270989D+01 -0.267611D+01 -0.202678D+01 -0.288570D+01 -0.774781D+01
      4   0.821974D+01  0.112219D+02  0.298482D+01  0.106237D+02  0.315966D+02
      5   0.270657D+01  0.297117D+01  0.717694D+01  0.314311D+01  0.814844D+01
      6   0.428120D+01  0.199317D+01  0.123351D+01  0.292816D+01  0.170275D+02
                96            97            98            99           100 
      1  -0.508045D+01  0.293490D+00 -0.700414D+01 -0.531623D+01  0.406282D+01
      2   0.717267D+01  0.929911D+00  0.573088D+01  0.158504D+01 -0.269865D+01
      3  -0.209223D+01 -0.122340D+01  0.127326D+01  0.373119D+01 -0.136417D+01
      4   0.933260D+01  0.323383D+01  0.130874D+02  0.949106D+01 -0.977667D+00
      5   0.913231D+01  0.803049D+01  0.860395D+01  0.735695D+01 -0.272245D+01
      6   0.103087D+02  0.346561D+01  0.128605D+02  0.958668D+01  0.203876D+01
               101           102           103           104           105 
      1  -0.175293D+01 -0.551391D+01 -0.502909D+01 -0.789523D+01 -0.589297D+01
      2   0.735083D+00  0.410967D+00  0.378839D+01 -0.144787D+00 -0.643407D+01
      3   0.101785D+01  0.510294D+01  0.124069D+01  0.804002D+01  0.123270D+02
      4  -0.109690D+00  0.513703D+00  0.197137D+01 -0.157794D+02 -0.111732D+02
      5   0.182806D+01  0.292389D+00  0.748018D+01 -0.930207D+01 -0.153167D+02
      6   0.151093D+01 -0.947284D-01 -0.326578D+00  0.119123D+02  0.101476D+02
               106           107           108           109           110 
      1  -0.351006D+01 -0.418634D+01 -0.109157D+02 -0.102683D+01  0.969771D+01
      2   0.250179D+01 -0.513872D+01 -0.709636D+01  0.165142D+01 -0.646691D+01
      3   0.100827D+01  0.932506D+01  0.180121D+02 -0.624593D+00 -0.323080D+01
      4   0.118772D+01 -0.937083D+01 -0.834957D+01  0.218572D+01 -0.207334D+01
      5   0.421452D+01 -0.706512D+01 -0.142228D+02 -0.661595D-01 -0.373122D+00
      6  -0.782105D+00  0.912167D+01  0.766265D+01 -0.386209D+01  0.629442D+01
               111           112           113           114           115 
      1  -0.815782D+01  0.934635D+01 -0.199460D+02  0.125791D+02 -0.386662D+01
      2   0.218407D+01 -0.541684D+01  0.170929D+02 -0.593751D+01  0.645788D+00
      3   0.597375D+01 -0.392951D+01  0.285301D+01 -0.664163D+01  0.322084D+01
      4   0.138105D+01  0.245791D+01  0.158714D+02 -0.105411D+02  0.101871D+00
      5  -0.236972D+01 -0.409135D+01 -0.780880D+01  0.777262D+01  0.163220D+01
      6  -0.542541D+01  0.202279D+01 -0.185515D+02  0.148102D+02 -0.247739D+01
               116           117           118           119           120 
      1   0.994895D+01 -0.140382D+02  0.851867D+02  0.109383D+02 -0.632802D+01
      2  -0.352323D+01  0.180072D+01 -0.428890D+02 -0.373904D+01  0.699634D+01
      3  -0.642572D+01  0.122375D+02 -0.422977D+02 -0.719928D+01 -0.668313D+00
      4  -0.703067D+01  0.508382D+01  0.261990D+02  0.139829D+02 -0.349045D+01
      5   0.440394D+01 -0.679415D+01 -0.307101D+02 -0.505338D+01  0.149914D+02
      6   0.127625D+02 -0.114366D+02 -0.547437D+01 -0.344412D+01  0.297674D+01
               121           122           123           124           125 
      1   0.973725D+01  0.608989D+01  0.381189D+00  0.440446D+01  0.974988D+00
      2  -0.261768D+01 -0.191650D+01 -0.611810D+00  0.526822D+00 -0.432129D+00
      3  -0.711957D+01 -0.417340D+01  0.230621D+00 -0.493128D+01 -0.542859D+00
      4   0.156886D+02  0.723720D+01 -0.350911D+01  0.182196D+01 -0.359625D+00
      5  -0.379523D+01 -0.463425D+01  0.180319D+01  0.876888D+01  0.596269D+00
      6  -0.302135D+01 -0.212674D+01  0.342979D+01  0.170156D+01  0.211993D+01
               126           127           128           129           130 
      1   0.515486D+01 -0.541082D+01 -0.857088D+01 -0.290645D+01 -0.776732D+01
      2  -0.357377D+01  0.638746D+01  0.998575D+01  0.213000D+01  0.917770D+01
      3  -0.158109D+01 -0.976633D+00 -0.141488D+01  0.776445D+00 -0.141038D+01
      4   0.137785D+01  0.346372D+01  0.711610D+01  0.154771D+01  0.494855D+01
      5  -0.152382D+01  0.120862D+01  0.134998D+01  0.163428D+01  0.113811D+01
      6  -0.726441D-01  0.257356D+01  0.396370D+01  0.251986D+01  0.326055D+01
               131           132           133           134           135 
      1  -0.321826D+02 -0.909448D+01 -0.225819D+01 -0.883460D+01 -0.381481D+01
      2   0.412003D+02  0.832998D+01  0.259779D+01  0.100166D+02  0.376205D+01
      3  -0.901768D+01  0.764504D+00 -0.339607D+00 -0.118204D+01  0.527580D-01
      4  -0.853948D+00 -0.623425D+00  0.133009D+01 -0.175616D+00  0.142172D+01
      5  -0.628572D+00 -0.229721D+00  0.105605D+01  0.601994D+00  0.633293D+00
      6   0.138848D+02  0.909619D+01  0.117507D+01  0.555415D+01  0.399055D+01
               136           137           138           139           140 
      1   0.217947D+02 -0.138998D+02 -0.290889D+01 -0.850226D+01  0.300774D+01
      2  -0.386043D+01 -0.940357D+00  0.101314D+01 -0.682890D+01  0.169197D+02
      3  -0.179342D+02  0.148401D+02  0.189575D+01  0.153312D+02 -0.199275D+02
      4  -0.336797D+02  0.306246D+02  0.489236D+01  0.338509D+02 -0.442753D+02
      5  -0.713400D+01  0.507216D+01  0.641458D+01  0.731297D+01 -0.854273D+01
      6   0.273144D+01 -0.240119D+01 -0.323318D+01 -0.469942D+01  0.642200D+01
               141           142           143           144           145 
      1   0.823743D+00 -0.111141D+01  0.155744D+00 -0.251719D+00  0.101621D+03
      2   0.110171D+01 -0.121855D+01  0.285193D+01  0.101816D+01 -0.570330D+02
      3  -0.192545D+01  0.232996D+01 -0.300767D+01 -0.766442D+00 -0.445883D+02
      4  -0.810009D+01  0.666953D+01 -0.838528D+01 -0.388267D+01  0.133987D+02
      5  -0.641313D+01  0.307539D+01 -0.338520D+01 -0.210790D+01  0.976717D+01
      6   0.609761D+01 -0.240675D+01  0.350108D+01  0.223035D+01 -0.228774D+01
               146           147           148           149           150 
      1   0.868611D+01  0.652418D+01  0.693889D+01  0.989385D+01  0.193837D+01
      2  -0.426981D+01 -0.436644D+01 -0.294110D+01 -0.466360D+01 -0.156717D+01
      3  -0.441630D+01 -0.215774D+01 -0.399779D+01 -0.523025D+01 -0.371206D+00
      4   0.948009D+01  0.581110D+00  0.160352D+02  0.416801D+01  0.142522D+01
      5   0.532057D+00  0.104669D+02  0.368736D+01  0.153924D+01  0.142586D+01
      6   0.216045D+00  0.526602D+00  0.854456D+00 -0.229578D+00  0.150144D+01
               151           152           153           154           155 
      1   0.764711D+01  0.218488D+01  0.409426D+01  0.541680D+01  0.479598D+01
      2  -0.432811D+01 -0.124373D+01 -0.275299D+01  0.325934D+01  0.494609D+01
      3  -0.331901D+01 -0.941150D+00 -0.134126D+01 -0.867614D+01 -0.974208D+01
      4   0.406815D+01  0.152138D+01  0.973952D+00  0.192934D+02  0.235217D+02
      5   0.456739D+01  0.677982D+00  0.164983D+01  0.494455D+01  0.554851D+01
      6   0.269201D+00  0.721549D+00  0.350879D+00  0.373689D+01  0.419190D+01
               156           157           158           159           160 
      1   0.116036D+01 -0.132263D+01 -0.159850D+02 -0.391417D+01  0.417605D-02
      2   0.329402D+00  0.116144D+02  0.368495D+02  0.600094D+01  0.222650D+01
      3  -0.148976D+01 -0.102918D+02 -0.208645D+02 -0.208677D+01 -0.223067D+01
      4   0.569261D+01  0.244405D+02  0.466011D+02  0.107313D+02  0.664233D+01
      5   0.503743D+01  0.589814D+01  0.103637D+02  0.677556D+01  0.254486D+01
      6   0.310176D+01  0.597378D+01  0.139874D+02  0.945121D+01  0.278113D+01
               161           162           163           164           165 
      1  -0.349650D+01 -0.258491D+01 -0.458450D+01  0.696186D+01  0.130964D+01
      2   0.763448D+01  0.313396D+01  0.590101D+01 -0.978415D+01 -0.131866D+01
      3  -0.413798D+01 -0.549043D+00 -0.131652D+01  0.282229D+01  0.902289D-02
      4   0.121032D+02  0.461806D+01 -0.861745D+01  0.766702D+01  0.996977D+00
      5   0.394751D+01  0.288016D+01 -0.860066D-01  0.110591D+01  0.171252D+01
      6   0.626009D+01  0.404586D+01  0.779818D+00 -0.185958D+01 -0.238200D+01
               166           167           168           169           170 
      1   0.837971D+01 -0.205039D+02 -0.381156D+01  0.174685D+01 -0.372603D+01
      2  -0.108035D+02  0.272600D+02  0.322732D+01 -0.225489D+01  0.442980D+01
      3   0.242383D+01 -0.675616D+01  0.584243D+00  0.508045D+00 -0.703766D+00
      4   0.747534D+01 -0.843257D+01 -0.103447D+01  0.127441D+01 -0.152497D+01
      5   0.107663D+01 -0.126580D+01 -0.119535D+01  0.106910D+01 -0.737219D+00
      6  -0.262527D+01  0.523295D+01  0.510860D+01 -0.103630D+01  0.268957D+01
               171           172           173           174           175 
      1  -0.107842D+01 -0.275028D+01 -0.269346D+01  0.101253D+02 -0.741561D+00
      2   0.181861D+01 -0.602370D+00  0.119927D+00  0.664492D+00  0.241112D+00
      3  -0.740191D+00  0.335265D+01  0.257353D+01 -0.107898D+02  0.500448D+00
      4  -0.203033D+01  0.210109D+00 -0.191667D+01  0.187308D+00  0.245029D+01
      5  -0.132093D+01  0.203707D+01  0.144188D+01 -0.443360D+01 -0.485197D+00
      6   0.165902D+01 -0.107127D+01 -0.180537D+01  0.418561D+01  0.177492D+00
               176           177           178           179           180 
      1  -0.374177D+01  0.497321D+01  0.791138D+01  0.701824D+01 -0.243727D+02
      2   0.125352D+01  0.773645D+00 -0.393003D+01  0.165436D+01 -0.115668D+02
      3   0.248825D+01 -0.574686D+01 -0.398135D+01 -0.867260D+01  0.359396D+02
      4  -0.551002D+01  0.288008D+01 -0.321049D+01  0.405638D+01 -0.809534D+01
      5   0.321965D+01 -0.908126D+01  0.682988D+01 -0.997347D+01  0.320479D+02
      6  -0.359518D+01  0.851835D+01  0.175942D+00  0.806516D+01 -0.167152D+02
 Leave Link  716 at Thu Aug 12 20:53:55 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135206D+03  0.344030D+00  0.128105D+01
      2   0.344030D+00  0.107338D+03  0.587028D+01
      3   0.128105D+01  0.587028D+01  0.772241D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.196397D+01  0.223689D+01  0.685607D+00
      2   0.437349D+01  0.150004D+02 -0.146019D+02
      3  -0.359941D+01 -0.323879D+02 -0.137523D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661534D+02  0.538685D+01  0.328215D+01
      2  -0.152329D+02 -0.797051D+01 -0.723518D+01
      3  -0.509205D+02  0.258366D+01  0.395303D+01
      4  -0.668617D+01  0.634581D+02  0.368909D+02
      5   0.196678D+02  0.381346D+02 -0.388874D+02
      6   0.162800D+02  0.470552D+01 -0.380058D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.443730D+01 -0.816924D+00 -0.165093D+00  0.506992D+01  0.158126D+00
      2  -0.816924D+00  0.212958D+01 -0.245043D+00  0.158126D+00  0.950091D+00
      3  -0.165093D+00 -0.245043D+00  0.715968D+00 -0.443263D+00 -0.115849D+01
                 6             7             8             9            10 
      1  -0.443263D+00  0.678887D+00 -0.816184D+00  0.193007D+01  0.417294D+01
      2  -0.115849D+01 -0.816184D+00 -0.145143D+01  0.347148D+01 -0.403140D+00
      3   0.129291D+01  0.193007D+01  0.347148D+01  0.268865D+01  0.120094D+00
                11            12            13            14            15 
      1  -0.403140D+00  0.120094D+00  0.873224D+01  0.183549D+00  0.130621D+00
      2  -0.321986D+01 -0.694411D+00  0.183549D+00  0.170606D+01 -0.822083D+00
      3  -0.694411D+00 -0.154914D+01  0.130621D+00 -0.822083D+00  0.153860D+01
                16            17            18            19            20 
      1   0.300259D+01 -0.288684D-01 -0.182954D+01 -0.189431D+02 -0.247713D+01
      2  -0.288684D-01 -0.168986D+01  0.297950D+01 -0.247713D+01 -0.245061D+01
      3  -0.182954D+01  0.297950D+01  0.134558D+01  0.630579D+00  0.198888D+00
                21            22            23            24            25 
      1   0.630579D+00 -0.298811D+01  0.100983D+01  0.161535D+01 -0.657353D+00
      2   0.198888D+00  0.100983D+01 -0.502964D+00 -0.407537D+00  0.146060D+01
      3  -0.200867D+01  0.161535D+01 -0.407537D+00 -0.190925D-01 -0.418487D+01
                26            27            28            29            30 
      1   0.146060D+01 -0.418487D+01  0.588576D+01  0.248809D+01  0.544851D+00
      2  -0.584516D+00 -0.507164D+00  0.248809D+01 -0.213296D+01 -0.231896D+00
      3  -0.507164D+00 -0.726402D+00  0.544851D+00 -0.231896D+00 -0.779984D+00
                31            32            33            34            35 
      1  -0.744526D+01 -0.602515D+00  0.369785D+00 -0.921167D+00  0.106487D+01
      2  -0.602515D+00 -0.179595D+01  0.127694D+01  0.106487D+01  0.134844D+01
      3   0.369785D+00  0.127694D+01 -0.141897D+01 -0.851584D+00 -0.329101D+01
                36            37            38            39            40 
      1  -0.851584D+00 -0.304592D+01 -0.608692D+00 -0.277039D+00 -0.562483D+01
      2  -0.329101D+01 -0.608692D+00  0.239006D+01  0.793733D+00 -0.906895D+00
      3  -0.297405D+01 -0.277039D+00  0.793733D+00  0.155691D+01 -0.105905D+01
                41            42            43            44            45 
      1  -0.906895D+00 -0.105905D+01 -0.183049D+01 -0.828274D+00  0.289707D+01
      2  -0.812144D+00  0.125762D+01 -0.828274D+00  0.188088D+01 -0.293433D+01
      3   0.125762D+01 -0.127940D+01  0.289707D+01 -0.293433D+01 -0.142601D+01
                46            47            48            49            50 
      1   0.575517D+01  0.415631D+00 -0.472560D+00  0.961570D+00 -0.409196D+00
      2   0.415631D+00  0.324340D+01  0.241173D+00 -0.409196D+00  0.287486D+00
      3  -0.472560D+00  0.241173D+00  0.224974D+01 -0.142164D+01 -0.539105D+00
                51            52            53            54            55 
      1  -0.142164D+01 -0.300042D-02 -0.142828D+01  0.527035D+01  0.502185D+01
      2  -0.539105D+00 -0.142828D+01  0.172537D-01  0.442058D+00  0.862993D+00
      3   0.151222D-01  0.527035D+01  0.442058D+00  0.795808D+00 -0.130265D+01
                56            57            58            59            60 
      1   0.862993D+00 -0.130265D+01  0.738567D+00  0.237122D+01 -0.255703D+01
      2   0.864439D+00 -0.117984D+01  0.237122D+01  0.557218D+01  0.371609D+01
      3  -0.117984D+01  0.266152D+01 -0.255703D+01  0.371609D+01  0.105724D+01
                61            62            63            64            65 
      1  -0.639840D+01 -0.192237D+01  0.502871D+01  0.786466D+01  0.868533D+00
      2  -0.192237D+01  0.302397D+01  0.284078D+01  0.868533D+00 -0.532606D+00
      3   0.502871D+01  0.284078D+01 -0.214145D+01  0.147532D+01  0.654099D+00
                66            67            68            69            70 
      1   0.147532D+01  0.324510D+01 -0.171555D+01  0.155844D+01  0.156888D+01
      2   0.654099D+00 -0.171555D+01  0.666899D+00 -0.148162D+01  0.341796D+00
      3  -0.192428D+01  0.155844D+01 -0.148162D+01 -0.618830D+00 -0.152135D+01
                71            72            73            74            75 
      1   0.341796D+00 -0.152135D+01  0.968214D+01  0.218434D+01 -0.328914D+00
      2   0.264882D+00 -0.157933D+01  0.218434D+01 -0.202927D+01  0.120152D+01
      3  -0.157933D+01  0.569327D+01 -0.328914D+00  0.120152D+01 -0.290954D+01
                76            77            78            79            80 
      1   0.162711D+01 -0.193466D+01  0.165099D+01  0.630505D+01  0.197067D+01
      2  -0.193466D+01  0.414615D+00 -0.443850D+01  0.197067D+01 -0.282054D+01
      3   0.165099D+01 -0.443850D+01 -0.114907D+01 -0.446056D+01 -0.182963D+01
                81            82            83            84            85 
      1  -0.446056D+01 -0.134487D+02  0.112790D+01 -0.256325D+01  0.432091D-01
      2  -0.182963D+01  0.112790D+01 -0.849647D+00  0.528218D+00 -0.675020D+00
      3   0.155279D+01 -0.256325D+01  0.528218D+00 -0.167100D+01  0.629757D-01
                86            87            88            89            90 
      1  -0.675020D+00  0.629757D-01 -0.316592D+00  0.157556D+00 -0.109786D+01
      2   0.588665D+00  0.839047D-01  0.157556D+00  0.373674D+00  0.231852D+00
      3   0.839047D-01 -0.514153D-01 -0.109786D+01  0.231852D+00 -0.677785D+00
                91            92            93            94            95 
      1  -0.428824D-01 -0.141505D+01 -0.484181D+00 -0.279795D+01 -0.141913D+01
      2  -0.141505D+01 -0.118296D+01 -0.274082D+00 -0.141913D+01 -0.709242D+01
      3  -0.484181D+00 -0.274082D+00 -0.947632D+00 -0.416093D+00 -0.215980D+01
                96            97            98            99           100 
      1  -0.416093D+00 -0.525951D+00 -0.359325D+00 -0.124448D+01 -0.444672D+00
      2  -0.215980D+01 -0.359325D+00 -0.298849D+01 -0.218821D+01  0.535209D+00
      3  -0.216300D+01 -0.124448D+01 -0.218821D+01 -0.191475D+01  0.410973D+00
               101           102           103           104           105 
      1   0.535209D+00  0.410973D+00  0.164394D+01 -0.500480D-01 -0.788226D+00
      2   0.372337D+00  0.269436D-02 -0.500480D-01  0.316350D+01  0.231385D+01
      3   0.269436D-02  0.833816D+00 -0.788226D+00  0.231385D+01  0.342830D+01
               106           107           108           109           110 
      1   0.624893D+00 -0.271823D+00 -0.965546D-01  0.133091D+00 -0.106958D+01
      2  -0.271823D+00  0.191262D+01  0.166038D+01 -0.106958D+01  0.141417D+01
      3  -0.965546D-01  0.166038D+01  0.362114D+01  0.585433D+00 -0.995373D+00
               111           112           113           114           115 
      1   0.585433D+00 -0.150015D+01  0.523378D+00 -0.220306D+00  0.190362D+00
      2  -0.995373D+00  0.523378D+00 -0.452044D+01  0.283948D+01 -0.372821D+00
      3   0.166227D+01 -0.220306D+00  0.283948D+01 -0.254494D+01  0.508379D+00
               116           117           118           119           120 
      1  -0.372821D+00  0.508379D+00 -0.143687D+02 -0.224484D+01  0.200793D+01
      2   0.192365D+01 -0.171102D+01 -0.224484D+01 -0.123962D+01  0.384661D+00
      3  -0.171102D+01  0.258434D+01  0.200793D+01  0.384661D+00 -0.159642D+01
               121           122           123           124           125 
      1  -0.217286D+01 -0.162232D+01  0.211532D+00 -0.106735D+01 -0.263465D+00
      2  -0.162232D+01 -0.878949D+00  0.657591D+00 -0.263465D+00  0.762154D-01
      3   0.211532D+00  0.657591D+00 -0.222997D+00 -0.765917D+00 -0.321229D-01
               126           127           128           129           130 
      1  -0.765917D+00 -0.166229D+01 -0.166702D+01 -0.539532D+00 -0.154269D+01
      2  -0.321229D-01 -0.166702D+01 -0.212551D+01 -0.626706D+00 -0.197187D+01
      3  -0.350193D-01 -0.539532D+00 -0.626706D+00 -0.390922D+00 -0.555741D+00
               131           132           133           134           135 
      1  -0.197187D+01 -0.555741D+00 -0.644416D+00 -0.696376D+00 -0.121929D+00
      2  -0.802787D+01 -0.210629D+01 -0.696376D+00 -0.222897D+01 -0.712625D+00
      3  -0.210629D+01 -0.136235D+01 -0.121929D+00 -0.712625D+00 -0.454933D+00
               136           137           138           139           140 
      1   0.500630D+01 -0.391533D+01 -0.749941D+00 -0.378643D+01  0.449683D+01
      2  -0.391533D+01  0.353942D+01  0.575995D+00  0.449683D+01 -0.657432D+01
      3  -0.749941D+00  0.575995D+00  0.628895D+00  0.970543D+00 -0.124222D+01
               141           142           143           144           145 
      1   0.970543D+00 -0.766980D+00  0.851809D+00  0.278954D+00  0.135429D+02
      2  -0.124222D+01  0.851809D+00 -0.145502D+01 -0.392452D+00  0.123229D+01
      3  -0.967055D+00  0.278954D+00 -0.392452D+00 -0.274384D+00  0.102139D+01
               146           147           148           149           150 
      1   0.123229D+01  0.102139D+01  0.115065D+01  0.168437D+01  0.459433D+00
      2   0.887968D+00  0.669141D-01  0.168437D+01  0.460230D+00  0.155638D+00
      3   0.669141D-01  0.955908D+00  0.459433D+00  0.155638D+00  0.147192D+00
               151           152           153           154           155 
      1   0.102312D+01  0.438293D+00  0.220116D+00  0.238127D+01  0.267472D+01
      2   0.438293D+00  0.123325D+00  0.376321D-01  0.267472D+01  0.284658D+01
      3   0.220116D+00  0.376321D-01  0.179600D+00  0.771908D+00  0.738680D+00
               156           157           158           159           160 
      1   0.771908D+00  0.239832D+01  0.384238D+01  0.100077D+01  0.823947D+00
      2   0.738680D+00  0.384238D+01  0.925277D+01  0.220231D+01  0.109651D+01
      3   0.531386D+00  0.100077D+01  0.220231D+01  0.138784D+01  0.351390D+00
               161           162           163           164           165 
      1   0.109651D+01  0.351390D+00 -0.366513D+01  0.216174D+01  0.814708D-01
      2   0.235464D+01  0.700874D+00  0.216174D+01 -0.256168D+01 -0.348938D+00
      3   0.700874D+00  0.448298D+00  0.814708D-01 -0.348938D+00 -0.462818D+00
               166           167           168           169           170 
      1   0.241525D+01 -0.270466D+01 -0.521861D+00  0.212544D+00 -0.535168D+00
      2  -0.270466D+01  0.573296D+01  0.911080D+00 -0.535168D+00  0.117006D+01
      3  -0.521861D+00  0.911080D+00  0.862371D+00 -0.688209D-01  0.282018D+00
               171           172           173           174           175 
      1  -0.688209D-01  0.612554D+00  0.662744D-01 -0.766773D+00 -0.167578D+00
      2   0.282018D+00  0.662744D-01  0.636770D+00 -0.790280D+00 -0.257817D+00
      3   0.277533D+00 -0.766773D+00 -0.790280D+00  0.244398D+01 -0.472430D-01
               176           177           178           179           180 
      1  -0.257817D+00 -0.472430D-01 -0.129857D+01  0.140842D+00 -0.241560D+00
      2   0.140961D+01 -0.105886D+01  0.140842D+00 -0.125078D+01  0.253132D+01
      3  -0.105886D+01  0.206754D+01 -0.241560D+00  0.253132D+01 -0.856222D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.232451D-01  0.118194D+01 -0.176269D+01  0.161794D+01 -0.433659D-01
      2  -0.883448D+00  0.277591D+01  0.118474D+01  0.148290D+01 -0.317028D+01
      3   0.283739D+01 -0.128909D+02 -0.248341D+01  0.331518D+01 -0.779252D+00
                 6             7             8             9            10 
      1  -0.223204D+01 -0.504313D+01  0.566683D+00 -0.108445D+01 -0.470680D+00
      2   0.321043D+01 -0.845939D+01  0.832181D+01  0.475074D+01  0.163841D+01
      3   0.189917D+01 -0.605196D+00  0.405601D+01 -0.424917D+01  0.606404D+00
                11            12            13            14            15 
      1   0.209500D-01  0.217317D+01 -0.751032D+00  0.962185D-01 -0.231557D+01
      2   0.435131D+00 -0.107952D+01  0.465795D+01  0.736072D+00  0.958425D+00
      3   0.301450D+00  0.121909D+01  0.184544D+01 -0.727486D+01  0.108343D+01
                16            17            18            19            20 
      1   0.714103D+01  0.352367D+01  0.526995D+00 -0.121514D+01 -0.462291D+00
      2  -0.124128D+02  0.310950D+00  0.440390D+00 -0.411890D+01 -0.132959D+01
      3  -0.112914D+01 -0.685448D+00 -0.639208D+01  0.470213D+00  0.823465D+01
                21            22            23            24            25 
      1   0.284796D+00 -0.107853D+01 -0.371185D+01  0.585778D+00 -0.266600D+00
      2  -0.194320D+01 -0.195704D+01  0.670251D+00 -0.321747D-01 -0.148317D+02
      3   0.905896D+00  0.190419D+02  0.231522D+01 -0.206706D+01  0.883481D-01
                26            27            28            29            30 
      1   0.954000D+01  0.226448D+01  0.229340D+00  0.133103D+01 -0.142211D+01
      2   0.272678D+00  0.117359D+00  0.396776D+01  0.156220D+01 -0.225846D+00
      3  -0.880538D-01  0.515441D+00 -0.570215D+01 -0.322036D+01 -0.227671D+01
                31            32            33            34            35 
      1   0.108035D+01  0.795829D+00 -0.230125D+01 -0.539228D+01  0.131593D+01
      2   0.230717D+01 -0.691581D+00 -0.106099D+01 -0.141443D+02 -0.138242D+01
      3   0.265991D+01  0.661581D+01 -0.128413D-01 -0.317276D+01 -0.163652D+01
                36            37            38            39            40 
      1  -0.521342D+00 -0.658746D+00 -0.899254D+00  0.224599D+01 -0.177987D+01
      2  -0.327510D+01 -0.131268D+01  0.205131D+01  0.278853D+01 -0.140245D+01
      3   0.525328D+01  0.399291D+01 -0.106074D+02 -0.210561D+01  0.723785D+01
                41            42            43            44            45 
      1  -0.477230D+00 -0.165372D+01  0.695568D+01  0.333965D+01  0.147138D+01
      2   0.362628D+01 -0.385551D+01 -0.392036D+01 -0.998287D+01 -0.395715D+01
      3   0.128729D+01 -0.214978D+01  0.199999D+00 -0.343275D+01  0.413754D+01
                46            47            48            49            50 
      1   0.414663D+00 -0.711135D+00 -0.724186D+00 -0.718891D+00 -0.275986D+01
      2   0.495346D+00 -0.138302D+00  0.608291D+01 -0.508238D+01 -0.107116D+00
      3  -0.257608D+01 -0.652928D+01 -0.956004D-02  0.119627D+02 -0.163742D+01
                51            52            53            54            55 
      1   0.687129D+00 -0.205261D+01  0.114755D+02  0.295903D+01 -0.910854D+00
      2   0.660117D+00  0.747496D+01  0.240247D+01  0.189059D+01  0.367018D+01
      3   0.103042D+01  0.414685D+01  0.466867D+00 -0.763970D+00 -0.776879D+00
                56            57            58            59            60 
      1  -0.464479D+00 -0.106425D+01  0.332594D+01  0.366983D+01  0.113866D+01
      2   0.156365D+01 -0.264182D+01  0.238866D+01 -0.785530D+01 -0.231912D+01
      3  -0.145522D+01  0.721940D+00  0.858628D+01  0.721784D+01  0.817657D+01
                61            62            63            64            65 
      1   0.293184D+01  0.455692D+01 -0.162474D+01 -0.224487D+01  0.205555D+01
      2  -0.166280D+02 -0.701999D+01  0.379013D+01  0.263697D+01 -0.177932D+01
      3   0.661454D+00  0.116333D+02  0.408003D+01  0.171402D+02 -0.695265D+01
                66            67            68            69            70 
      1   0.274870D+01 -0.543977D+00 -0.278797D+01 -0.254882D+01 -0.108351D+01
      2   0.946838D+01  0.338797D+00  0.189209D+01  0.217009D+01  0.732358D+00
      3   0.523231D+01  0.334281D+01  0.321152D+01 -0.307272D+01  0.220192D+01
                71            72            73            74            75 
      1   0.644477D+01 -0.826188D+01  0.368158D+01 -0.326136D+01 -0.161982D+00
      2   0.542408D+01 -0.149526D+02 -0.133694D+02 -0.589207D+01  0.110320D+02
      3  -0.107916D+00 -0.590871D+01  0.195285D+00 -0.100145D+02  0.209421D+01
                76            77            78            79            80 
      1  -0.551645D+00 -0.118037D+01 -0.116305D+02 -0.141965D+01 -0.580589D+01
      2  -0.572592D+01  0.141695D+02  0.165952D+01  0.810296D+01  0.351768D+01
      3  -0.286070D+01  0.276527D+01 -0.150010D+02  0.766072D+00 -0.128504D+02
                81            82            83            84            85 
      1  -0.721050D+00  0.207964D+01  0.916999D+00  0.114014D+01  0.151169D-03
      2   0.726087D+00 -0.486879D+01 -0.308801D+00  0.491033D+01 -0.803709D+00
      3  -0.174445D+01 -0.118870D+02 -0.433915D+01 -0.160225D+01 -0.163277D+01
                86            87            88            89            90 
      1  -0.270595D+00 -0.480578D+00  0.232614D+00  0.154879D+00  0.189994D+00
      2  -0.689022D+00  0.884781D+00  0.105601D+01 -0.611936D-01  0.992772D+00
      3   0.757302D+00  0.746957D+00 -0.399721D+00  0.537354D+00 -0.400960D+00
                91            92            93            94            95 
      1  -0.768956D+00 -0.311231D+00 -0.815303D+00 -0.114061D+01 -0.503810D-01
      2   0.118337D+01  0.247893D+00  0.254287D+01 -0.590391D+00  0.421166D+01
      3  -0.346099D+01 -0.215533D+01 -0.356235D+00  0.356007D+01 -0.133750D+02
                96            97            98            99           100 
      1  -0.453200D+01 -0.954257D+00  0.387302D-01 -0.227033D+01  0.163649D+01
      2   0.405407D+01  0.354513D+00  0.329016D+01  0.312006D+01 -0.174396D+01
      3  -0.408647D+01  0.125082D+01 -0.606142D+01 -0.326335D+01  0.241044D+01
               101           102           103           104           105 
      1   0.138398D+01  0.193174D+00  0.493751D+00  0.773272D+01  0.361012D+01
      2  -0.991490D+00 -0.180320D+01 -0.158805D+01 -0.674335D+01 -0.793008D+01
      3   0.997140D+00  0.894383D-02  0.184423D+01  0.902147D+01  0.680869D+01
               106           107           108           109           110 
      1  -0.380808D+00  0.586092D+01  0.452435D+01 -0.170888D+01  0.220461D+01
      2  -0.230771D+01 -0.425232D+01 -0.844594D+01 -0.326468D+01  0.342457D+01
      3  -0.468274D+00  0.547115D+01  0.478715D+01 -0.430181D+01  0.420290D+01
               111           112           113           114           115 
      1   0.573485D+00  0.125751D+01 -0.517718D+01  0.321878D+00  0.357705D+00
      2  -0.343813D+01  0.373210D+01 -0.820698D+01  0.627676D+01 -0.347709D+01
      3  -0.238685D+01  0.538194D+01 -0.114526D+02  0.731348D+01 -0.135103D+01
               116           117           118           119           120 
      1   0.335097D+01 -0.120050D+00 -0.127457D+01 -0.200024D+01 -0.137054D+01
      2   0.473052D+01 -0.649855D+01  0.105876D+02  0.126555D+01  0.623398D+01
      3   0.519075D+01 -0.498987D+01  0.350896D+01 -0.548298D+01  0.107701D+00
               121           122           123           124           125 
      1  -0.178710D+01 -0.507780D+00 -0.135250D+00 -0.905776D+00  0.105357D+01
      2   0.190326D+01 -0.354028D+00  0.930110D+00  0.130226D+01 -0.478670D-01
      3  -0.192783D+01 -0.159224D+01  0.181848D+01 -0.803397D-01  0.136937D+01
               126           127           128           129           130 
      1  -0.283330D+00  0.143125D+00  0.391936D+00 -0.146583D+01  0.120307D+00
      2   0.933335D+00 -0.183751D+01 -0.114137D+01 -0.283243D-01 -0.174454D+01
      3   0.806853D+00  0.651595D+01  0.339794D+01  0.136134D+01  0.679737D+01
               131           132           133           134           135 
      1   0.858563D+00 -0.385101D+01  0.666940D+00  0.214368D+01 -0.648117D+00
      2  -0.237266D+01 -0.101321D+00 -0.191262D+01 -0.616238D+00  0.638774D-01
      3   0.843506D+01  0.265906D+01  0.250772D+01  0.244336D+01  0.422401D+00
               136           137           138           139           140 
      1   0.183923D+00 -0.636560D+00  0.217309D+01  0.267465D+00  0.325779D+00
      2  -0.166191D-01  0.592075D-01  0.280059D+01  0.946838D+00 -0.174554D+01
      3   0.161140D+01 -0.476387D+01 -0.322238D+00 -0.365924D+01  0.110038D+02
               141           142           143           144           145 
      1  -0.320928D+01 -0.893827D+00  0.136961D+01 -0.413774D+00 -0.157665D+00
      2  -0.347712D+01 -0.564361D+00  0.305370D+00 -0.534410D+00  0.124943D+01
      3   0.166219D+01 -0.104700D+01  0.259225D+01  0.471947D+00 -0.521246D+00
               146           147           148           149           150 
      1   0.378974D+00 -0.574534D+00  0.420062D-01  0.252206D-01 -0.385855D+00
      2  -0.607153D-01  0.613411D+01  0.166453D+01  0.367561D+00  0.863250D+00
      3  -0.527296D+01  0.130730D+00 -0.401426D+01 -0.120416D+01 -0.389358D+00
               151           152           153           154           155 
      1   0.333577D+00  0.454206D+00 -0.626022D-01 -0.239830D+00  0.110589D+00
      2  -0.212737D+01 -0.107037D+00  0.441140D+00  0.342869D+00  0.587306D+00
      3  -0.133654D+01 -0.754896D+00 -0.458569D-01 -0.801250D+00 -0.248327D+01
               156           157           158           159           160 
      1  -0.166023D+01 -0.247436D+00  0.523606D+00 -0.423508D+01  0.533219D+00
      2   0.165363D+01  0.619345D+00  0.315159D+01  0.346692D+01 -0.356983D+00
      3  -0.415982D+00 -0.150321D+01 -0.133429D+02 -0.287814D+01 -0.390796D+00
               161           162           163           164           165 
      1   0.174873D+01 -0.752402D+00  0.994589D+00 -0.801766D+00  0.231374D+01
      2   0.325528D+00  0.933922D+00  0.237773D+01 -0.873475D+00  0.637057D+00
      3  -0.357984D+01 -0.846576D+00 -0.105187D+02  0.370073D+01 -0.316687D+00
               166           167           168           169           170 
      1  -0.983383D-01  0.179079D-01 -0.300998D+01 -0.211057D+00  0.183844D+01
      2  -0.102911D+01  0.131728D+01 -0.966169D+00 -0.155274D+01  0.456125D+00
      3   0.695680D+01 -0.477478D+01 -0.122750D+01 -0.274568D+00 -0.148250D+01
               171           172           173           174           175 
      1  -0.277097D+00  0.263596D+00 -0.428246D+00 -0.282463D+01 -0.148222D+00
      2  -0.503037D+00  0.390657D+01  0.147751D+01 -0.569712D+01 -0.117959D+00
      3  -0.142982D-01  0.108256D+01  0.166283D+01 -0.244001D+01  0.670242D+00
               176           177           178           179           180 
      1  -0.141852D-01 -0.243456D+01 -0.374738D+00  0.699254D+00  0.803832D+01
      2   0.179360D+01 -0.539199D+01 -0.393240D+01 -0.605968D+01  0.193280D+02
      3   0.297497D+01 -0.167510D+01 -0.156782D+01 -0.308066D+01  0.814465D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.784207D+01 -0.191670D+02 -0.295113D+01  0.220104D+02  0.119190D+02
      2  -0.837126D+01  0.120427D+02  0.545739D+00 -0.183745D+02 -0.148121D+02
      3   0.529186D+00  0.712435D+01  0.240540D+01 -0.363591D+01  0.289306D+01
      4  -0.137784D+02 -0.619819D+01 -0.389015D+01  0.909292D+01 -0.458674D+01
      5  -0.625970D+01 -0.205296D+01 -0.120561D+01  0.157487D+00 -0.724573D+01
      6  -0.534234D+01 -0.139687D+01  0.315470D+01 -0.550529D+01 -0.114892D+02
                 6             7             8             9            10 
      1   0.456280D+01  0.548615D+01  0.130136D+01 -0.539451D+01  0.658153D+00
      2  -0.670415D+01 -0.871913D+01 -0.966995D+01 -0.512169D+01 -0.111575D+01
      3   0.214135D+01  0.323298D+01  0.836860D+01  0.105162D+02  0.457600D+00
      4  -0.680927D+01 -0.332379D+01 -0.113114D+02  0.130537D+02  0.954108D+01
      5   0.668198D+01  0.118657D+02  0.135052D+02  0.978349D+01  0.359055D+01
      6   0.280161D+01  0.584941D+01  0.125056D+02  0.345022D+01  0.242940D+01
                11            12            13            14            15 
      1   0.148594D+02  0.393236D+01 -0.510038D+01  0.118746D+01  0.433980D+01
      2  -0.113390D+02 -0.678286D-01  0.132661D+02 -0.349370D+01 -0.352135D+01
      3  -0.352040D+01 -0.386453D+01 -0.816570D+01  0.230624D+01 -0.818458D+00
      4  -0.111381D+02 -0.909766D+00  0.223650D+01  0.131984D+02  0.272483D+01
      5  -0.188690D+01 -0.168222D+01  0.397927D+01  0.288014D+01 -0.634822D+00
      6  -0.137490D+01 -0.437448D+01  0.896971D+01 -0.538773D+01  0.431424D+01
                16            17            18            19            20 
      1  -0.218898D+01  0.555473D+01 -0.134030D+02 -0.197729D+02 -0.261455D+01
      2   0.808746D+01 -0.827979D+01  0.207065D+01  0.474093D+01  0.218604D+01
      3  -0.589848D+01  0.272506D+01  0.113323D+02  0.150320D+02  0.428508D+00
      4   0.269057D+01  0.218155D+01  0.356581D+01  0.590734D+01  0.294299D+01
      5   0.318044D+01  0.219432D+01 -0.300884D+00 -0.975128D+01 -0.148202D+01
      6  -0.315473D+01  0.109929D+02 -0.134361D+00 -0.477458D+01  0.389270D+00
                21            22            23            24            25 
      1  -0.302252D+01  0.729038D+00 -0.847881D+01 -0.173909D+01 -0.616275D+01
      2   0.540767D+00 -0.314661D+01  0.130394D+02  0.732620D+01 -0.747529D+00
      3   0.248175D+01  0.241757D+01 -0.456064D+01 -0.558712D+01  0.691028D+01
      4  -0.836031D+00 -0.817384D+01 -0.134542D+01  0.149256D+01 -0.599930D+01
      5   0.128216D+01 -0.621960D+01  0.136080D+01 -0.272758D+00  0.582558D+01
      6   0.123292D+01 -0.294644D+01  0.598665D+01 -0.601951D-01  0.432382D+00
                26            27            28            29            30 
      1  -0.232871D+01 -0.839796D+01  0.114152D+02 -0.848871D+01 -0.174381D+00
      2   0.479431D+01 -0.376486D+01 -0.725553D+01  0.655817D+01 -0.873291D+00
      3  -0.246560D+01  0.121628D+02 -0.415966D+01  0.193054D+01  0.104767D+01
      4   0.154028D+01  0.123963D+01 -0.687314D+01 -0.177429D+02 -0.370294D+01
      5   0.929491D+00 -0.102901D+01  0.206743D+01 -0.238769D+01 -0.378955D+01
      6   0.616151D+01 -0.348548D+01 -0.104817D+01 -0.142674D+01  0.323420D+01
                31            32            33            34            35 
      1   0.170184D+01  0.894675D+01  0.611349D+01  0.310997D+01  0.446493D+01
      2  -0.101003D+02 -0.114266D+02 -0.792060D+01 -0.557441D+01 -0.116834D+02
      3   0.839850D+01  0.247990D+01  0.180711D+01  0.246443D+01  0.721847D+01
      4   0.111259D+02 -0.130648D+02 -0.259859D+01 -0.896284D+00 -0.299768D+01
      5  -0.115899D+01 -0.295633D+01 -0.821492D-01  0.366262D+01 -0.542693D+01
      6  -0.675747D+01 -0.112658D+02  0.221598D+01  0.131341D+01  0.123084D+02
                36            37            38            39            40 
      1  -0.146279D+02 -0.757846D+00  0.217674D+02  0.580648D+01 -0.270190D+02
      2   0.283384D-02 -0.355797D+01 -0.134325D+02 -0.628242D+00  0.240065D+02
      3   0.146250D+02  0.431582D+01 -0.833493D+01 -0.517823D+01  0.301248D+01
      4  -0.694736D+01  0.161583D+02  0.161917D+01  0.173882D+01  0.298719D+00
      5  -0.454403D+01  0.314345D+00 -0.153806D+00  0.529471D+01 -0.674059D+01
      6   0.470073D+01 -0.414804D+00 -0.162243D+01 -0.550328D+01  0.781562D+01
                41            42            43            44            45 
      1   0.357361D+01  0.133880D+00 -0.874622D+01  0.390792D+01  0.218758D+01
      2  -0.692988D+01 -0.944174D+00  0.113753D+02 -0.793547D+01 -0.803879D+01
      3   0.335627D+01  0.810294D+00 -0.262905D+01  0.402755D+01  0.585120D+01
      4   0.106245D+02  0.100722D+02 -0.253432D+01  0.107408D+02 -0.139672D+02
      5   0.857039D+01 -0.735672D+01  0.180359D+02 -0.143790D+02 -0.904648D+01
      6  -0.672269D+01  0.325385D+01 -0.650226D+01  0.108193D+02 -0.102415D+01
                46            47            48            49            50 
      1  -0.143971D+02 -0.399547D+01 -0.535371D+01  0.856553D+01 -0.194321D+02
      2   0.102545D+02  0.322293D+01  0.251678D+01 -0.672978D+01  0.160370D+02
      3   0.414266D+01  0.772547D+00  0.283692D+01 -0.183575D+01  0.339509D+01
      4  -0.311787D+01  0.222727D+02  0.137855D+01 -0.166978D+02 -0.332415D+01
      5  -0.391729D+01  0.115297D+01  0.145343D+02 -0.133417D+02 -0.122201D+01
      6   0.178298D+01  0.685168D+00  0.180261D+01 -0.313417D+01  0.362836D+01
                51            52            53            54            55 
      1  -0.868191D+01 -0.386173D+01 -0.957071D+01  0.141727D+02  0.129614D+02
      2   0.960693D+01 -0.647811D+00  0.691634D+01 -0.158554D+02 -0.305107D+01
      3  -0.925017D+00  0.450954D+01  0.265436D+01  0.168266D+01 -0.991035D+01
      4  -0.386243D+01 -0.142647D+02 -0.165656D+01  0.211662D+01  0.199523D+00
      5   0.624392D+00  0.346801D+02  0.325646D+01  0.480325D+01  0.709196D+01
      6  -0.107987D+01  0.137789D+01  0.497011D+01 -0.396026D+01  0.272130D+01
                56            57            58            59            60 
      1   0.653802D+00 -0.162652D+01  0.109637D+02  0.682489D+01  0.811197D+01
      2   0.237043D+01 -0.152840D+01 -0.674767D+01 -0.131614D+02 -0.163197D+02
      3  -0.302423D+01  0.315492D+01 -0.421602D+01  0.633656D+01  0.820775D+01
      4  -0.906142D+01  0.351138D+01 -0.134690D+02 -0.226936D+02 -0.172862D+02
      5   0.361213D+01 -0.150397D+02  0.171866D+02 -0.149063D+02 -0.218136D+01
      6  -0.339765D+00 -0.801577D+00 -0.500973D+01 -0.131670D+02 -0.702144D+01
                61            62            63            64            65 
      1   0.551059D+01  0.732655D+01 -0.630369D+01 -0.405797D+02  0.157649D+01
      2  -0.114039D+02 -0.554258D+01  0.701402D+01  0.264188D+02 -0.479467D+01
      3   0.589332D+01 -0.178397D+01 -0.710334D+00  0.141609D+02  0.321818D+01
      4   0.132569D+02 -0.160310D+02 -0.133353D+02  0.147178D+01  0.105405D+02
      5  -0.298824D+02 -0.130265D+02  0.970078D+01 -0.185846D+02 -0.116300D+01
      6  -0.839545D+01 -0.949053D+01  0.182898D+01 -0.492465D+00  0.114805D+01
                66            67            68            69            70 
      1  -0.114049D+02 -0.105868D+02 -0.384632D+01 -0.400251D+01 -0.849965D+01
      2   0.144377D+01  0.267669D+01  0.142093D+02 -0.437340D+00  0.246663D+01
      3   0.996113D+01  0.791009D+01 -0.103630D+02  0.443985D+01  0.603303D+01
      4   0.826656D+00  0.168675D+02 -0.909056D+01  0.932183D+01 -0.667560D+00
      5   0.103401D+02 -0.113976D+02  0.793698D+01  0.252794D+00  0.911369D+01
      6  -0.344604D+01  0.534410D+01 -0.356938D+01  0.587234D+01 -0.109681D+01
                71            72            73            74            75 
      1  -0.841867D+00  0.163538D+02 -0.589752D+02 -0.167108D+02  0.105856D+02
      2  -0.720911D+01  0.132331D+01  0.244963D+02  0.101757D+02 -0.181103D+01
      3   0.805098D+01 -0.176771D+02  0.344790D+02  0.653509D+01 -0.877458D+01
      4   0.769112D+00  0.346917D+01 -0.226114D+02  0.720424D+01 -0.318007D+01
      5   0.571569D+01 -0.192850D+02  0.158799D+02 -0.470026D+00  0.125734D+02
      6   0.248633D+01  0.974934D+01  0.470653D+01 -0.696378D+01  0.399529D+01
                76            77            78            79            80 
      1  -0.173763D+02  0.192516D+02 -0.448920D+01  0.207346D-01 -0.615857D+01
      2   0.923813D+01 -0.504975D+01  0.137237D+02  0.978705D+01  0.118923D+02
      3   0.813818D+01 -0.142018D+02 -0.923453D+01 -0.980778D+01 -0.573372D+01
      4   0.732347D+01  0.221110D+01  0.184828D+02 -0.951486D+01  0.130062D+02
      5  -0.389519D+01  0.139600D+02  0.810508D+01  0.257762D+02  0.114571D+02
      6  -0.400073D+01  0.410086D+01 -0.128551D+02  0.921806D+01 -0.815879D+01
                81            82            83            84            85 
      1   0.124427D+02  0.768395D+02 -0.415590D+01  0.106932D+02  0.416465D+01
      2  -0.127083D+02 -0.447905D+02  0.208926D+01 -0.914326D+01 -0.205047D+01
      3   0.265572D+00 -0.320490D+02  0.206664D+01 -0.154998D+01 -0.211418D+01
      4   0.117234D+02 -0.162487D+02  0.738485D+01 -0.435335D+01  0.665957D+01
      5  -0.134316D+02  0.309044D+02 -0.372164D+01  0.139935D+02  0.655328D-01
      6  -0.549425D+01 -0.301405D+01  0.224209D+01 -0.270311D+01  0.196085D+01
                86            87            88            89            90 
      1   0.353262D+01 -0.116479D+01  0.321666D+01 -0.604350D+00  0.461110D+01
      2  -0.667991D+00  0.961808D+00 -0.317467D+01  0.823560D+00 -0.453313D+01
      3  -0.286463D+01  0.202984D+00 -0.419943D-01 -0.219209D+00 -0.779647D-01
      4  -0.220770D+01  0.355455D+00 -0.186610D+01 -0.162695D+00 -0.152698D+01
      5   0.533235D+00  0.190177D+00  0.111596D+02 -0.155247D+01  0.603204D+01
      6  -0.207682D+00  0.131302D+01 -0.156383D+01  0.108752D+01 -0.106208D+01
                91            92            93            94            95 
      1   0.731467D+00  0.257117D+01  0.191913D+01  0.678615D+00 -0.137747D+02
      2   0.197842D+01  0.104938D+00  0.107652D+00  0.220709D+01  0.215225D+02
      3  -0.270989D+01 -0.267611D+01 -0.202678D+01 -0.288570D+01 -0.774781D+01
      4   0.821974D+01  0.112219D+02  0.298482D+01  0.106237D+02  0.315966D+02
      5   0.270657D+01  0.297117D+01  0.717694D+01  0.314311D+01  0.814844D+01
      6   0.428120D+01  0.199317D+01  0.123351D+01  0.292816D+01  0.170275D+02
                96            97            98            99           100 
      1  -0.508045D+01  0.293490D+00 -0.700414D+01 -0.531623D+01  0.406282D+01
      2   0.717267D+01  0.929911D+00  0.573088D+01  0.158504D+01 -0.269865D+01
      3  -0.209223D+01 -0.122340D+01  0.127326D+01  0.373119D+01 -0.136417D+01
      4   0.933260D+01  0.323383D+01  0.130874D+02  0.949106D+01 -0.977667D+00
      5   0.913231D+01  0.803049D+01  0.860395D+01  0.735695D+01 -0.272245D+01
      6   0.103087D+02  0.346561D+01  0.128605D+02  0.958668D+01  0.203876D+01
               101           102           103           104           105 
      1  -0.175293D+01 -0.551391D+01 -0.502909D+01 -0.789523D+01 -0.589297D+01
      2   0.735083D+00  0.410967D+00  0.378839D+01 -0.144787D+00 -0.643407D+01
      3   0.101785D+01  0.510294D+01  0.124069D+01  0.804002D+01  0.123270D+02
      4  -0.109690D+00  0.513703D+00  0.197137D+01 -0.157794D+02 -0.111732D+02
      5   0.182806D+01  0.292389D+00  0.748018D+01 -0.930207D+01 -0.153167D+02
      6   0.151093D+01 -0.947284D-01 -0.326578D+00  0.119123D+02  0.101476D+02
               106           107           108           109           110 
      1  -0.351006D+01 -0.418634D+01 -0.109157D+02 -0.102683D+01  0.969771D+01
      2   0.250179D+01 -0.513872D+01 -0.709636D+01  0.165142D+01 -0.646691D+01
      3   0.100827D+01  0.932506D+01  0.180121D+02 -0.624593D+00 -0.323080D+01
      4   0.118772D+01 -0.937083D+01 -0.834957D+01  0.218572D+01 -0.207334D+01
      5   0.421452D+01 -0.706512D+01 -0.142228D+02 -0.661595D-01 -0.373122D+00
      6  -0.782105D+00  0.912167D+01  0.766265D+01 -0.386209D+01  0.629442D+01
               111           112           113           114           115 
      1  -0.815782D+01  0.934635D+01 -0.199460D+02  0.125791D+02 -0.386662D+01
      2   0.218407D+01 -0.541684D+01  0.170929D+02 -0.593751D+01  0.645788D+00
      3   0.597375D+01 -0.392951D+01  0.285301D+01 -0.664163D+01  0.322084D+01
      4   0.138105D+01  0.245791D+01  0.158714D+02 -0.105411D+02  0.101871D+00
      5  -0.236972D+01 -0.409135D+01 -0.780880D+01  0.777262D+01  0.163220D+01
      6  -0.542541D+01  0.202279D+01 -0.185515D+02  0.148102D+02 -0.247739D+01
               116           117           118           119           120 
      1   0.994895D+01 -0.140382D+02  0.851867D+02  0.109383D+02 -0.632802D+01
      2  -0.352323D+01  0.180072D+01 -0.428890D+02 -0.373904D+01  0.699634D+01
      3  -0.642572D+01  0.122375D+02 -0.422977D+02 -0.719928D+01 -0.668313D+00
      4  -0.703067D+01  0.508382D+01  0.261990D+02  0.139829D+02 -0.349045D+01
      5   0.440394D+01 -0.679415D+01 -0.307101D+02 -0.505338D+01  0.149914D+02
      6   0.127625D+02 -0.114366D+02 -0.547437D+01 -0.344412D+01  0.297674D+01
               121           122           123           124           125 
      1   0.973725D+01  0.608989D+01  0.381189D+00  0.440446D+01  0.974988D+00
      2  -0.261768D+01 -0.191650D+01 -0.611810D+00  0.526822D+00 -0.432129D+00
      3  -0.711957D+01 -0.417340D+01  0.230621D+00 -0.493128D+01 -0.542859D+00
      4   0.156886D+02  0.723720D+01 -0.350911D+01  0.182196D+01 -0.359625D+00
      5  -0.379523D+01 -0.463425D+01  0.180319D+01  0.876888D+01  0.596269D+00
      6  -0.302135D+01 -0.212674D+01  0.342979D+01  0.170156D+01  0.211993D+01
               126           127           128           129           130 
      1   0.515486D+01 -0.541082D+01 -0.857088D+01 -0.290645D+01 -0.776732D+01
      2  -0.357377D+01  0.638746D+01  0.998575D+01  0.213000D+01  0.917770D+01
      3  -0.158109D+01 -0.976633D+00 -0.141488D+01  0.776445D+00 -0.141038D+01
      4   0.137785D+01  0.346372D+01  0.711610D+01  0.154771D+01  0.494855D+01
      5  -0.152382D+01  0.120862D+01  0.134998D+01  0.163428D+01  0.113811D+01
      6  -0.726441D-01  0.257356D+01  0.396370D+01  0.251986D+01  0.326055D+01
               131           132           133           134           135 
      1  -0.321826D+02 -0.909448D+01 -0.225819D+01 -0.883460D+01 -0.381481D+01
      2   0.412003D+02  0.832998D+01  0.259779D+01  0.100166D+02  0.376205D+01
      3  -0.901768D+01  0.764504D+00 -0.339607D+00 -0.118204D+01  0.527580D-01
      4  -0.853948D+00 -0.623425D+00  0.133009D+01 -0.175616D+00  0.142172D+01
      5  -0.628572D+00 -0.229721D+00  0.105605D+01  0.601994D+00  0.633293D+00
      6   0.138848D+02  0.909619D+01  0.117507D+01  0.555415D+01  0.399055D+01
               136           137           138           139           140 
      1   0.217947D+02 -0.138998D+02 -0.290889D+01 -0.850226D+01  0.300774D+01
      2  -0.386043D+01 -0.940357D+00  0.101314D+01 -0.682890D+01  0.169197D+02
      3  -0.179342D+02  0.148401D+02  0.189575D+01  0.153312D+02 -0.199275D+02
      4  -0.336797D+02  0.306246D+02  0.489236D+01  0.338509D+02 -0.442753D+02
      5  -0.713400D+01  0.507216D+01  0.641458D+01  0.731297D+01 -0.854273D+01
      6   0.273144D+01 -0.240119D+01 -0.323318D+01 -0.469942D+01  0.642200D+01
               141           142           143           144           145 
      1   0.823743D+00 -0.111141D+01  0.155744D+00 -0.251719D+00  0.101621D+03
      2   0.110171D+01 -0.121855D+01  0.285193D+01  0.101816D+01 -0.570330D+02
      3  -0.192545D+01  0.232996D+01 -0.300767D+01 -0.766442D+00 -0.445883D+02
      4  -0.810009D+01  0.666953D+01 -0.838528D+01 -0.388267D+01  0.133987D+02
      5  -0.641313D+01  0.307539D+01 -0.338520D+01 -0.210790D+01  0.976717D+01
      6   0.609761D+01 -0.240675D+01  0.350108D+01  0.223035D+01 -0.228774D+01
               146           147           148           149           150 
      1   0.868611D+01  0.652418D+01  0.693889D+01  0.989385D+01  0.193837D+01
      2  -0.426981D+01 -0.436644D+01 -0.294110D+01 -0.466360D+01 -0.156717D+01
      3  -0.441630D+01 -0.215774D+01 -0.399779D+01 -0.523025D+01 -0.371206D+00
      4   0.948009D+01  0.581110D+00  0.160352D+02  0.416801D+01  0.142522D+01
      5   0.532057D+00  0.104669D+02  0.368736D+01  0.153924D+01  0.142586D+01
      6   0.216045D+00  0.526602D+00  0.854456D+00 -0.229578D+00  0.150144D+01
               151           152           153           154           155 
      1   0.764711D+01  0.218488D+01  0.409426D+01  0.541680D+01  0.479598D+01
      2  -0.432811D+01 -0.124373D+01 -0.275299D+01  0.325934D+01  0.494609D+01
      3  -0.331901D+01 -0.941150D+00 -0.134126D+01 -0.867614D+01 -0.974208D+01
      4   0.406815D+01  0.152138D+01  0.973952D+00  0.192934D+02  0.235217D+02
      5   0.456739D+01  0.677982D+00  0.164983D+01  0.494455D+01  0.554851D+01
      6   0.269201D+00  0.721549D+00  0.350879D+00  0.373689D+01  0.419190D+01
               156           157           158           159           160 
      1   0.116036D+01 -0.132263D+01 -0.159850D+02 -0.391417D+01  0.417605D-02
      2   0.329402D+00  0.116144D+02  0.368495D+02  0.600094D+01  0.222650D+01
      3  -0.148976D+01 -0.102918D+02 -0.208645D+02 -0.208677D+01 -0.223067D+01
      4   0.569261D+01  0.244405D+02  0.466011D+02  0.107313D+02  0.664233D+01
      5   0.503743D+01  0.589814D+01  0.103637D+02  0.677556D+01  0.254486D+01
      6   0.310176D+01  0.597378D+01  0.139874D+02  0.945121D+01  0.278113D+01
               161           162           163           164           165 
      1  -0.349650D+01 -0.258491D+01 -0.458450D+01  0.696186D+01  0.130964D+01
      2   0.763448D+01  0.313396D+01  0.590101D+01 -0.978415D+01 -0.131866D+01
      3  -0.413798D+01 -0.549043D+00 -0.131652D+01  0.282229D+01  0.902289D-02
      4   0.121032D+02  0.461806D+01 -0.861745D+01  0.766702D+01  0.996977D+00
      5   0.394751D+01  0.288016D+01 -0.860066D-01  0.110591D+01  0.171252D+01
      6   0.626009D+01  0.404586D+01  0.779818D+00 -0.185958D+01 -0.238200D+01
               166           167           168           169           170 
      1   0.837971D+01 -0.205039D+02 -0.381156D+01  0.174685D+01 -0.372603D+01
      2  -0.108035D+02  0.272600D+02  0.322732D+01 -0.225489D+01  0.442980D+01
      3   0.242383D+01 -0.675616D+01  0.584243D+00  0.508045D+00 -0.703766D+00
      4   0.747534D+01 -0.843257D+01 -0.103447D+01  0.127441D+01 -0.152497D+01
      5   0.107663D+01 -0.126580D+01 -0.119535D+01  0.106910D+01 -0.737219D+00
      6  -0.262527D+01  0.523295D+01  0.510860D+01 -0.103630D+01  0.268957D+01
               171           172           173           174           175 
      1  -0.107842D+01 -0.275028D+01 -0.269346D+01  0.101253D+02 -0.741561D+00
      2   0.181861D+01 -0.602370D+00  0.119927D+00  0.664492D+00  0.241112D+00
      3  -0.740191D+00  0.335265D+01  0.257353D+01 -0.107898D+02  0.500448D+00
      4  -0.203033D+01  0.210109D+00 -0.191667D+01  0.187308D+00  0.245029D+01
      5  -0.132093D+01  0.203707D+01  0.144188D+01 -0.443360D+01 -0.485197D+00
      6   0.165902D+01 -0.107127D+01 -0.180537D+01  0.418561D+01  0.177492D+00
               176           177           178           179           180 
      1  -0.374177D+01  0.497321D+01  0.791138D+01  0.701824D+01 -0.243727D+02
      2   0.125352D+01  0.773645D+00 -0.393003D+01  0.165436D+01 -0.115668D+02
      3   0.248825D+01 -0.574686D+01 -0.398135D+01 -0.867260D+01  0.359396D+02
      4  -0.551002D+01  0.288008D+01 -0.321049D+01  0.405638D+01 -0.809534D+01
      5   0.321965D+01 -0.908126D+01  0.682988D+01 -0.997347D+01  0.320479D+02
      6  -0.359518D+01  0.851835D+01  0.175942D+00  0.806516D+01 -0.167152D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106590D+03      0.157949D+02      0.175742D+02
   aniso      0.512967D+02      0.760139D+01      0.845769D+01
   xx         0.135206D+03      0.200355D+02      0.222925D+02
   yx         0.344030D+00      0.509800D-01      0.567229D-01
   yy         0.107338D+03      0.159059D+02      0.176977D+02
   zx         0.128105D+01      0.189832D+00      0.211216D+00
   zy         0.587028D+01      0.869886D+00      0.967879D+00
   zz         0.772241D+02      0.114434D+02      0.127325D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106590D+03      0.157949D+02      0.175742D+02
   aniso      0.512967D+02      0.760139D+01      0.845769D+01
   xx         0.115757D+03      0.171535D+02      0.190858D+02
   yx         0.173200D+02      0.256656D+01      0.285568D+01
   yy         0.920140D+02      0.136351D+02      0.151711D+02
   zx        -0.193043D+02     -0.286061D+01     -0.318286D+01
   zy         0.645050D+01      0.955866D+00      0.106354D+01
   zz         0.111997D+03      0.165963D+02      0.184658D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-23\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
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 THERE ARE TWO THINGS THAT EVERYBODY THINKS THEY CAN DO BETTER THAN
 ANYONE ELSE - PUNCH THE FIRE, AND EDIT A DAILY PAPER.
 -- UNCLE ESEK, "CENTURY MAGAZINE", 1885
 Job cpu time:       0 days  2 hours  2 minutes  8.6 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 18.8 seconds.
 File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:53:55 2021.
